Showing Compound Card for Isobutyryl-CoA (CDB004896)

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Record Information
Version1.0
Created at2020-04-17 18:48:02 UTC
Updated at2020-12-07 19:11:13 UTC
CannabisDB IDCDB004896
Secondary Accession NumbersNot Available
Cannabis Compound Identification
Common NameIsobutyryl-CoA
DescriptionIsobutyryl-CoA, also known as isobutanoyl-CoA, belongs to the class of organic compounds known as acyl coas. These are organic compounds containing a coenzyme A substructure linked to an acyl chain. Thus, isobutyryl-CoA is considered to be a fatty ester lipid molecule. Isobutyryl-CoA is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Isobutyryl-CoA is expected to be in Cannabis as all living plants are known to produce and metabolize it.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
2-Methylpropanoyl-CoAChEBI
2-Methylpropionyl-CoAChEBI
Isobutanoyl-CoAChEBI
2-Methylpropanoyl-coenzyme AHMDB
2-Methylpropionyl-coenzyme AHMDB
alpha-Methylpropionyl-CoAHMDB
alpha-Methylpropionyl-coenzyme AHMDB
Isobutyryl- CoAHMDB
Isobutyryl- coenzyme AHMDB
S-(2-MethylpropanoateHMDB
S-(2-Methylpropanoate)CoAHMDB
S-(2-Methylpropanoate)coenzyme AHMDB
S-(2-Methylpropanoic acidHMDB
S-(2-Methylpropanoyl)-CoAHMDB
S-(2-Methylpropanoyl)-coenzyme AHMDB
Isobutyryl-coenzyme AHMDB
Chemical FormulaC25H42N7O17P3S
Average Molecular Weight837.62
Monoisotopic Molecular Weight837.1571
IUPAC Name{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-{[2-({2-[(2-methylpropanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
Traditional Nameisobutyryl- coa
CAS Registry Number15621-60-0
SMILES
CC(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N
InChI Identifier
InChI=1S/C25H42N7O17P3S/c1-13(2)24(37)53-8-7-27-15(33)5-6-28-22(36)19(35)25(3,4)10-46-52(43,44)49-51(41,42)45-9-14-18(48-50(38,39)40)17(34)23(47-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,34-35H,5-10H2,1-4H3,(H,27,33)(H,28,36)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,17-,18-,19+,23-/m1/s1
InChI KeyAEWHYWSPVRZHCT-NDZSKPAWSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as acyl coas. These are organic compounds containing a coenzyme A substructure linked to an acyl chain.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty acyl thioesters
Direct ParentAcyl CoAs
Alternative Parents
Substituents
  • Coenzyme a or derivatives
  • Purine ribonucleoside 3',5'-bisphosphate
  • Purine ribonucleoside bisphosphate
  • Purine ribonucleoside diphosphate
  • Ribonucleoside 3'-phosphate
  • Pentose phosphate
  • Pentose-5-phosphate
  • Beta amino acid or derivatives
  • Glycosyl compound
  • N-glycosyl compound
  • 6-aminopurine
  • Monosaccharide phosphate
  • Organic pyrophosphate
  • Pentose monosaccharide
  • Imidazopyrimidine
  • Purine
  • Monoalkyl phosphate
  • Aminopyrimidine
  • Imidolactam
  • N-acyl-amine
  • N-substituted imidazole
  • Organic phosphoric acid derivative
  • Monosaccharide
  • Pyrimidine
  • Alkyl phosphate
  • Fatty amide
  • Phosphoric acid ester
  • Tetrahydrofuran
  • Imidazole
  • Azole
  • Heteroaromatic compound
  • Carbothioic s-ester
  • Secondary alcohol
  • Thiocarboxylic acid ester
  • Carboxamide group
  • Secondary carboxylic acid amide
  • Amino acid or derivatives
  • Sulfenyl compound
  • Thiocarboxylic acid or derivatives
  • Organoheterocyclic compound
  • Azacycle
  • Oxacycle
  • Carboxylic acid derivative
  • Organosulfur compound
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic nitrogen compound
  • Primary amine
  • Organopnictogen compound
  • Organic oxide
  • Organooxygen compound
  • Organonitrogen compound
  • Alcohol
  • Amine
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Disposition

Route of exposure:

Source:

Biological location:

Role

Biological role:

Industrial application:

Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
logPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-0.31ALOGPS
logP-4.6ChemAxon
logS-2.3ALOGPS
pKa (Strongest Acidic)0.82ChemAxon
pKa (Strongest Basic)4.01ChemAxon
Physiological Charge-4ChemAxon
Hydrogen Acceptor Count17ChemAxon
Hydrogen Donor Count9ChemAxon
Polar Surface Area363.63 ŲChemAxon
Rotatable Bond Count21ChemAxon
Refractivity181.41 m³·mol⁻¹ChemAxon
Polarizability75.44 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Spectra
EI-MS/GC-MS
TypeDescriptionSplash KeyView
EI-MSMass Spectrum (Electron Ionization)Not Available2022-08-06View Spectrum
MS/MS
TypeDescriptionSplash KeyView
MS/MSLC-MS/MS Spectrum - LC-ESI-QTOF 32V, positivesplash10-0019-1319100060-a79bd8a602e60d66ac132020-07-21View Spectrum
MS/MSLC-MS/MS Spectrum - LC-ESI-QTOF 30V, positivesplash10-001i-0119200000-4e679a7c24abcdc11da32020-07-21View Spectrum
MS/MSLC-MS/MS Spectrum - LC-ESI-QTOF 32V, negativesplash10-000i-1100400090-8f145af0c5b7cd4ac4a42020-07-21View Spectrum
MS/MSLC-MS/MS Spectrum - LC-ESI-QTOF 30V, negativesplash10-0a4r-0001900230-95377ad2588da2829d5e2020-07-21View Spectrum
MS/MSLC-MS/MS Spectrum - 30V, Positivesplash10-0a4r-0001900230-0d57be779009a47b3dba2021-09-20View Spectrum
MS/MSLC-MS/MS Spectrum - 30V, Positivesplash10-001i-0119200000-78faf0478e7c602748b82021-09-20View Spectrum
MS/MSLC-MS/MS Spectrum - 30V, Positivesplash10-001i-0119200000-45aa20fbcdd1e63a894f2021-09-20View Spectrum
MS/MSLC-MS/MS Spectrum - 30V, Negativesplash10-0a4r-0001900230-90449190d7f5d676ef232021-09-20View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-000i-1912000120-f55c632bcd1b333334d42015-09-15View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-000i-1912000000-8cde39bfd4a461090f5a2015-09-15View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-000i-2911000000-c7b1d9c988c6f8b3f8d22015-09-15View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-014i-9830141650-f43324cd35c202d513cf2015-09-15View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-00o0-4910100010-f378cf8a3791bc14e2862015-09-15View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-057i-6900100000-40bc8264c1477ec9f6672015-09-15View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-000i-0000000090-073f428b3307881724332021-09-24View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0f79-9700001110-c5e67605cae198ee7c6f2021-09-24View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-00n0-7104504900-a408436d4349ab93733f2021-09-24View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-000i-0000000090-1c2a17ed106a9fe343382021-09-24View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-000i-3910002340-52078e31983e5f0f6f212021-09-24View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-001i-0129000000-230d4ae4be019648dc202021-09-24View Spectrum
NMR
TypeDescriptionView
1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)Spectrum
1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)Spectrum
1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)Spectrum
1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)Spectrum
1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)Spectrum
1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)Spectrum
1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)Spectrum
1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)Spectrum
1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)Spectrum
1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)Spectrum
1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)Spectrum
1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)Spectrum
1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)Spectrum
1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)Spectrum
1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)Spectrum
1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)Spectrum
1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)Spectrum
1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)Spectrum
1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)Spectrum
Pathways
Pathways
Protein Targets
Enzymes
Protein NameGene NameLocusUniprot IDDetails
3-ketoacyl-CoA thiolase, mitochondrialACAA218q21.1P42765 details
3-ketoacyl-CoA thiolase, peroxisomalACAA13p22.2P09110 details
Trifunctional enzyme subunit beta, mitochondrialHADHB2p23P55084 details
Methylmalonate-semialdehyde dehydrogenase [acylating], mitochondrialALDH6A114q24.3Q02252 details
Long-chain specific acyl-CoA dehydrogenase, mitochondrialACADL2q34P28330 details
Short-chain specific acyl-CoA dehydrogenase, mitochondrialACADS12q24.31P16219 details
Medium-chain specific acyl-CoA dehydrogenase, mitochondrialACADM1p31P11310 details
Peroxisomal acyl-coenzyme A oxidase 1ACOX117q25.1Q15067 details
Peroxisomal acyl-coenzyme A oxidase 2ACOX23p14.3Q99424 details
Isovaleryl-CoA dehydrogenase, mitochondrialIVD15q14-q15P26440 details
Peroxisomal acyl-coenzyme A oxidase 3ACOX34p15.3O15254 details
Glutaryl-CoA dehydrogenase, mitochondrialGCDH19p13.2Q92947 details
Hepatic triacylglycerol lipaseLIPC15q21-q23P11150 details
Diacylglycerol O-acyltransferase 1DGAT18q24.3O75907 details
2-oxoisovalerate dehydrogenase subunit beta, mitochondrialBCKDHB6q14.1P21953 details
2-oxoisovalerate dehydrogenase subunit alpha, mitochondrialBCKDHA19q13.1-q13.2P12694 details
Acyl-CoA desaturaseSCD10q24.31O00767 details
Sterol O-acyltransferase 2SOAT212q13.13O75908 details
Sterol O-acyltransferase 1SOAT11q25P35610 details
Bile acid-CoA:amino acid N-acyltransferaseBAAT9q22.3Q14032 details
Long-chain-fatty-acid--CoA ligase 4ACSL4Xq22.3-q23O60488 details
Long-chain-fatty-acid--CoA ligase 1ACSL14q35P33121 details
Long-chain-fatty-acid--CoA ligase 6ACSL65q31Q9UKU0 details
Long-chain-fatty-acid--CoA ligase 5ACSL510q25.1-q25.2Q9ULC5 details
Long-chain-fatty-acid--CoA ligase 3ACSL32q34-q35O95573 details
Glycerol-3-phosphate acyltransferase 1, mitochondrialGPAM10q25.2Q9HCL2 details
Trans-2-enoyl-CoA reductase, mitochondrialMECR1p35.3Q9BV79 details
Peroxisomal trans-2-enoyl-CoA reductasePECR2q35Q9BY49 details
Cytosolic acyl coenzyme A thioester hydrolaseACOT71p36O00154 details
Acyl-coenzyme A thioesterase 2, mitochondrialACOT214q24.3P49753 details
Acyl-coenzyme A thioesterase 4ACOT414q24.3Q8N9L9 details
Acyl-coenzyme A thioesterase 8ACOT820q13.12O14734 details
Dihydroxyacetone phosphate acyltransferaseGNPAT1q42O15228 details
1-acyl-sn-glycerol-3-phosphate acyltransferase gammaAGPAT321q22.3Q9NRZ7 details
1-acyl-sn-glycerol-3-phosphate acyltransferase betaAGPAT29q34.3O15120 details
1-acyl-sn-glycerol-3-phosphate acyltransferase alphaAGPAT16p21.3Q99943 details
Short/branched chain specific acyl-CoA dehydrogenase, mitochondrialACADSB10q26.13P45954 details
Very long-chain acyl-CoA synthetaseSLC27A215q21.2O14975 details
Peroxisome proliferator-activated receptor gammaPPARG3p25P37231 details
Peroxisome proliferator-activated receptor alphaPPARA22q12-q13.1|22q13.31Q07869 details
Peroxisome proliferator-activated receptor deltaPPARD6p21.2Q03181 details
Acyl-CoA-binding proteinDBI2q12-q21P07108 details
Fatty acid-binding protein, heartFABP31p33-p32P05413 details
1-acyl-sn-glycerol-3-phosphate acyltransferase epsilonAGPAT58p23.1Q9NUQ2 details
Bile acyl-CoA synthetaseSLC27A519q13.43Q9Y2P5 details
Lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, mitochondrialDBT1p31P11182 details
2-acylglycerol O-acyltransferase 2MOGAT211q13.5Q3SYC2 details
Long-chain fatty acid transport protein 3SLC27A31q21.3Q5K4L6 details
Acyl-CoA dehydrogenase family member 10ACAD1012q24.12Q6JQN1 details
Acyl-CoA dehydrogenase family member 11ACAD113q22.1Q709F0 details
Glycerol-3-phosphate acyltransferase 4AGPAT68p11.21Q86UL3 details
Acyl-coenzyme A synthetase ACSM1, mitochondrialACSM116p12.3Q08AH1 details
Diacylglycerol O-acyltransferase 2DGAT211q13.5Q96PD7 details
1-acyl-sn-glycerol-3-phosphate acyltransferase deltaAGPAT46q26Q9NRZ5 details
2-acylglycerol O-acyltransferase 1MOGAT12q36.1Q96PD6 details
Isobutyryl-CoA dehydrogenase, mitochondrialACAD811q25Q9UKU7 details
Acyl-CoA dehydrogenase family member 9, mitochondrialACAD93q21.3Q9H845 details
Long-chain fatty acid transport protein 4SLC27A49q34.11Q6P1M0 details
Fatty acyl-CoA reductase 1FAR111p15.2Q8WVX9 details
Fatty acyl-CoA reductase 2FAR212p11.22Q96K12 details
Acyl-CoA wax alcohol acyltransferase 1AWAT1Xq13.1Q58HT5 details
Acyl-CoA wax alcohol acyltransferase 2AWAT2Xq13.1Q6E213 details
Diacylglycerol O-acyltransferase 2-like protein 6DGAT2L6Q6ZPD8 details
Putative diacylglycerol O-acyltransferase 2-like protein 7DGAT2L77q22.1Q6IED9 details
2-acylglycerol O-acyltransferase 3MOGAT37q22.1Q86VF5 details
Lysophospholipid acyltransferase 5LPCAT312p13Q6P1A2 details
Lysophosphatidylcholine acyltransferase 1LPCAT15p15.33Q8NF37 details
Lysocardiolipin acyltransferase 1LCLAT12p23.1Q6UWP7 details
Lysophospholipid acyltransferase LPCAT4LPCAT415q14Q643R3 details
Glycerol-3-phosphate acyltransferase 3AGPAT94q21.23Q53EU6 details
Glycine N-acyltransferaseGLYAT11q12.1Q6IB77 details
Glycine N-acyltransferase-like protein 1GLYATL111q12.1Q969I3 details
Glycine N-acyltransferase-like protein 2GLYATL211q12.1Q8WU03 details
Enoyl-CoA delta isomerase 2, mitochondrialECI26p24.3O75521 details
Acyl-CoA synthetase family member 4AASDH4q12Q4L235 details
Very long-chain specific acyl-CoA dehydrogenase, mitochondrialACADVL17p13.1P49748 details
Acyl-coenzyme A oxidase-like proteinACOXL2q13Q9NUZ1 details
Acyl-coenzyme A synthetase ACSM6, mitochondrialACSM610q23.33Q6P461 details
Acyl-coenzyme A synthetase ACSM2A, mitochondrialACSM2A16p12.3Q08AH3 details
Acyl-coenzyme A synthetase ACSM2B, mitochondrialACSM2B16p12.3Q68CK6 details
Acyl-coenzyme A synthetase ACSM3, mitochondrialACSM316p13.11Q53FZ2 details
Acyl-coenzyme A synthetase ACSM5, mitochondrialACSM516p12.3Q6NUN0 details
Peroxisomal coenzyme A diphosphatase NUDT7NUDT716q23.1P0C024 details
Acyl-coenzyme A synthetase ACSM4, mitochondrialACSM412p13.31P0C7M7 details
Glycerol-3-phosphate acyltransferase 2, mitochondrialGPAT22q11.1Q6NUI2 details
Peroxisomal D3,D2-enoyl-CoA isomerase isoform 1 variantQ53GC8 details
Nef-associated protein 1C9orf1569q22.33Q9BU70 details
Acyl-coenzyme A thioesterase 9, mitochondrialACOT9Q9Y305 details
Acyl-CoA synthetase family member 3, mitochondrialACSF316q24.3Q4G176 details
Acyl-coenzyme A thioesterase 1ACOT114q24.3Q86TX2 details
Cytosolic acyl coenzyme A thioester hydrolase-likeACOT7LQ6ZUV0 details
Acyl-CoA synthetase family member 2, mitochondrialACSF217q21.33Q96CM8 details
Acyl-coenzyme A thioesterase 11ACOT111p32.3Q8WXI4 details
Long-chain-fatty-acid--CoA ligase ACSBG2ACSBG219p13.3Q5FVE4 details
Long-chain-fatty-acid--CoA ligase ACSBG1ACSBG115q23-q24Q96GR2 details
Transporters
Protein NameGene NameLocusUniprot IDDetails
Very long-chain acyl-CoA synthetaseSLC27A215q21.2O14975 details
Fatty acid-binding protein, heartFABP31p33-p32P05413 details
Bile acyl-CoA synthetaseSLC27A519q13.43Q9Y2P5 details
Long-chain fatty acid transport protein 1SLC27A119p13.11Q6PCB7 details
Acyl-CoA synthetase family member 4AASDH4q12Q4L235 details
Fatty acid-binding protein, intestinalFABP24q28-q31P12104 details
Metal Bindings
Protein NameGene NameLocusUniprot IDDetails
2-oxoisovalerate dehydrogenase subunit alpha, mitochondrialBCKDHA19q13.1-q13.2P12694 details
Acyl-CoA desaturaseSCD10q24.31O00767 details
Trans-2-enoyl-CoA reductase, mitochondrialMECR1p35.3Q9BV79 details
Peroxisome proliferator-activated receptor gammaPPARG3p25P37231 details
Peroxisome proliferator-activated receptor alphaPPARA22q12-q13.1|22q13.31Q07869 details
Peroxisome proliferator-activated receptor deltaPPARD6p21.2Q03181 details
Acyl-coenzyme A synthetase ACSM1, mitochondrialACSM116p12.3Q08AH1 details
Lysophosphatidylcholine acyltransferase 1LPCAT15p15.33Q8NF37 details
Acyl-coenzyme A synthetase ACSM6, mitochondrialACSM610q23.33Q6P461 details
Acyl-coenzyme A synthetase ACSM2A, mitochondrialACSM2A16p12.3Q08AH3 details
Acyl-coenzyme A synthetase ACSM2B, mitochondrialACSM2B16p12.3Q68CK6 details
Acyl-coenzyme A synthetase ACSM3, mitochondrialACSM316p13.11Q53FZ2 details
Acyl-coenzyme A synthetase ACSM5, mitochondrialACSM516p12.3Q6NUN0 details
Peroxisomal coenzyme A diphosphatase NUDT7NUDT716q23.1P0C024 details
Acyl-coenzyme A synthetase ACSM4, mitochondrialACSM412p13.31P0C7M7 details
Receptors
Protein NameGene NameLocusUniprot IDDetails
Peroxisome proliferator-activated receptor gammaPPARG3p25P37231 details
Peroxisome proliferator-activated receptor alphaPPARA22q12-q13.1|22q13.31Q07869 details
Peroxisome proliferator-activated receptor deltaPPARD6p21.2Q03181 details
Benzodiazepine receptor ligandBRLQ71U42 details
Transcriptional Factors
Protein NameGene NameLocusUniprot IDDetails
Peroxisome proliferator-activated receptor gammaPPARG3p25P37231 details
Peroxisome proliferator-activated receptor alphaPPARA22q12-q13.1|22q13.31Q07869 details
Peroxisome proliferator-activated receptor deltaPPARD6p21.2Q03181 details
Isobutyryl-CoA dehydrogenase, mitochondrialACAD811q25Q9UKU7 details
Concentrations Data
Not Available
HMDB IDHMDB0001243
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB022508
KNApSAcK IDNot Available
Chemspider ID2300823
KEGG Compound IDC00630
BioCyc IDISOBUTYRYL-COA
BiGG ID35538
Wikipedia LinkIsobutyryl-CoA
METLIN ID6103
PubChem Compound3036931
PDB IDNot Available
ChEBI ID15479
References
General ReferencesNot Available

Only showing the first 10 proteins. There are 124 proteins in total.

Show All

Enzymes

Enzyme Details
1. 3-ketoacyl-CoA thiolase, mitochondrial
General function:
Involved in transferase activity, transferring acyl groups other than amino-acyl groups
Specific function:
Abolishes BNIP3-mediated apoptosis and mitochondrial damage.
Gene Name:
ACAA2
Uniprot ID:
P42765
Molecular weight:
41923.82
Enzyme Details
2. 3-ketoacyl-CoA thiolase, peroxisomal
General function:
Involved in transferase activity, transferring acyl groups other than amino-acyl groups
Specific function:
Not Available
Gene Name:
ACAA1
Uniprot ID:
P09110
Molecular weight:
34664.46
Enzyme Details
3. Trifunctional enzyme subunit beta, mitochondrial
General function:
Involved in transferase activity, transferring acyl groups other than amino-acyl groups
Specific function:
Not Available
Gene Name:
HADHB
Uniprot ID:
P55084
Molecular weight:
51293.955
Enzyme Details
4. Methylmalonate-semialdehyde dehydrogenase [acylating], mitochondrial
General function:
Involved in oxidoreductase activity
Specific function:
Plays a role in valine and pyrimidine metabolism. Binds fatty acyl-CoA.
Gene Name:
ALDH6A1
Uniprot ID:
Q02252
Molecular weight:
57839.31
Enzyme Details
5. Long-chain specific acyl-CoA dehydrogenase, mitochondrial
General function:
Involved in acyl-CoA dehydrogenase activity
Specific function:
Not Available
Gene Name:
ACADL
Uniprot ID:
P28330
Molecular weight:
47655.275
Enzyme Details
6. Short-chain specific acyl-CoA dehydrogenase, mitochondrial
General function:
Involved in acyl-CoA dehydrogenase activity
Specific function:
Not Available
Gene Name:
ACADS
Uniprot ID:
P16219
Molecular weight:
44296.705
Enzyme Details
7. Medium-chain specific acyl-CoA dehydrogenase, mitochondrial
General function:
Involved in acyl-CoA dehydrogenase activity
Specific function:
This enzyme is specific for acyl chain lengths of 4 to 16.
Gene Name:
ACADM
Uniprot ID:
P11310
Molecular weight:
46587.98
Enzyme Details
8. Peroxisomal acyl-coenzyme A oxidase 1
General function:
Involved in acyl-CoA dehydrogenase activity
Specific function:
Catalyzes the desaturation of acyl-CoAs to 2-trans-enoyl-CoAs. Isoform 1 shows highest activity against medium-chain fatty acyl-CoAs and activity decreases with increasing chain length. Isoform 2 is active against a much broader range of substrates and shows activity towards very long-chain acyl-CoAs. Isoform 2 is twice as active as isoform 1 against 16-hydroxy-palmitoyl-CoA and is 25% more active against 1,16-hexadecanodioyl-CoA.
Gene Name:
ACOX1
Uniprot ID:
Q15067
Molecular weight:
70135.205
Enzyme Details
9. Peroxisomal acyl-coenzyme A oxidase 2
General function:
Involved in acyl-CoA dehydrogenase activity
Specific function:
Oxidizes the CoA esters of the bile acid intermediates di- and tri-hydroxycholestanoic acids.
Gene Name:
ACOX2
Uniprot ID:
Q99424
Molecular weight:
76826.14
Enzyme Details
10. Isovaleryl-CoA dehydrogenase, mitochondrial
General function:
Involved in acyl-CoA dehydrogenase activity
Specific function:
Not Available
Gene Name:
IVD
Uniprot ID:
P26440
Molecular weight:
43055.325

Transporters

Enzyme Details
1. Very long-chain acyl-CoA synthetase
General function:
Involved in catalytic activity
Specific function:
Acyl-CoA synthetase probably involved in bile acid metabolism. Proposed to activate C27 precurors of bile acids to their CoA thioesters derivatives before side chain cleavage via peroxisomal beta-oxidation occurs. In vitro, activates 3-alpha,7-alpha,12-alpha-trihydroxy-5-beta-cholestanate (THCA), the C27 precursor of cholic acid deriving from the de novo synthesis from cholesterol. Does not utilize C24 bile acids as substrates. In vitro, also activates long- and branched-chain fatty acids and may have additional roles in fatty acid metabolism. May be involved in translocation of long-chain fatty acids (LFCA) across membranes (By similarity).
Gene Name:
SLC27A2
Uniprot ID:
O14975
Molecular weight:
64614.99
Enzyme Details
2. Fatty acid-binding protein, heart
General function:
Involved in negative regulation of cell proliferation
Specific function:
FABP are thought to play a role in the intracellular transport of long-chain fatty acids and their acyl-CoA esters
Gene Name:
FABP3
Uniprot ID:
P05413
Molecular weight:
14857.9
Enzyme Details
3. Bile acyl-CoA synthetase
General function:
Involved in catalytic activity
Specific function:
Acyl-CoA synthetase involved in bile acid metabolism. Proposed to catalyze the first step in the conjugation of C24 bile acids (choloneates) to glycine and taurine before excretion into bile canaliculi by activating them to their CoA thioesters. Seems to activate secondary bile acids entering the liver from the enterohepatic circulation. In vitro, also activates 3-alpha,7-alpha,12-alpha-trihydroxy-5-beta-cholestanate (THCA), the C27 precursor of cholic acid deriving from the de novo synthesis from cholesterol.
Gene Name:
SLC27A5
Uniprot ID:
Q9Y2P5
Molecular weight:
75384.375
Enzyme Details
4. Long-chain fatty acid transport protein 1
General function:
Lipid transport and metabolism
Specific function:
Involved in translocation of long-chain fatty acids (LFCA) across the plasma membrane. The LFCA import appears to be hormone-regulated in a tissue-specific manner. In adipocytes, but not myocytes, insulin induces a rapid translocation of FATP1 from intracellular compartments to the plasma membrane, paralleled by increased LFCA uptake. May act directly as a bona fide transporter, or alternatively, in a cytoplasmic or membrane- associated multimeric protein complex to trap and draw fatty acids towards accumulation. Plays a pivotal role in regulating available LFCA substrates from exogenous sources in tissues undergoing high levels of beta-oxidation or triglyceride synthesis. May be involved in regulation of cholesterol metabolism. Has acyl-CoA ligase activity for long-chain and very-long-chain fatty acids
Gene Name:
SLC27A1
Uniprot ID:
Q6PCB7
Molecular weight:
71107.5
Enzyme Details
5. Acyl-CoA synthetase family member 4
General function:
Involved in acyl carrier activity
Specific function:
Acyl-CoA synthases catalyze the initial reaction in fatty acid metabolism, by forming a thioester with CoA
Gene Name:
AASDH
Uniprot ID:
Q4L235
Molecular weight:
122596.1
Enzyme Details
6. Fatty acid-binding protein, intestinal
General function:
Involved in binding
Specific function:
FABP are thought to play a role in the intracellular transport of long-chain fatty acids and their acyl-CoA esters. FABP2 is probably involved in triglyceride-rich lipoprotein synthesis. Binds saturated long-chain fatty acids with a high affinity, but binds with a lower affinity to unsaturated long- chain fatty acids. FABP2 may also help maintain energy homeostasis by functioning as a lipid sensor
Gene Name:
FABP2
Uniprot ID:
P12104
Molecular weight:
15207.2

Only showing the first 10 proteins. There are 124 proteins in total.

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