Showing Compound Card for Iron (CDB005174)

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Record Information
Version1.0
Created at2020-04-17 19:16:47 UTC
Updated at2020-12-07 19:11:42 UTC
CannabisDB IDCDB005174
Secondary Accession NumbersNot Available
Cannabis Compound Identification
Common NameIron
DescriptionIron, also known as fe (II) ion or fe(ii), belongs to the class of inorganic compounds known as homogeneous transition metal compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a transition metal atom. Iron is a weakly acidic compound (based on its pKa). Its chief functions are in the transport of oxygen to tissue (hemoglobin) and in cellular oxidation mechanisms. Iron exists in all living species, ranging from bacteria to humans. In humans, iron is involved in ibuprofen action pathway. Iron is also involved in several metabolic disorders, some of which include adenine phosphoribosyltransferase deficiency (APRT), porphyria variegata (PV), adenylosuccinate lyase deficiency, and AICA-ribosiduria. Outside of the human body, Iron has been detected, but not quantified in, several different foods, such as chinese cinnamons, nutmegs, sorghums, mustard spinachs, and acorns. This could make iron a potential biomarker for the consumption of these foods. Iron is a potentially toxic compound. Depletion of iron stores may result in iron-deficiency anemia. Those who are iron deficient may absorb up to 95% of an iron dose. Iron is expected to be in Cannabis as all living plants are known to produce and metabolize it.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
Chemical FormulaFe
Average Molecular Weight55.85
Monoisotopic Molecular Weight55.9349
IUPAC Namelambda2-iron(2+) ion
Traditional Namelambda2-iron(2+) ion
CAS Registry Number15438-31-0
SMILES
[Fe++]
InChI Identifier
InChI=1S/Fe/q+2
InChI KeyCWYNVVGOOAEACU-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of inorganic compounds known as homogeneous transition metal compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a transition metal atom.
KingdomInorganic compounds
Super ClassHomogeneous metal compounds
ClassHomogeneous transition metal compounds
Sub ClassNot Available
Direct ParentHomogeneous transition metal compounds
Alternative ParentsNot Available
Substituents
  • Homogeneous transition metal
Molecular FrameworkNot Available
External Descriptors
Ontology
Physiological effect

Health effect:

Disposition

Route of exposure:

Source:

Biological location:

Role

Industrial application:

Biological role:

Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting Point1538 °CNot Available
Boiling Point2862 °CWikipedia
Water SolubilityNot AvailableNot Available
logPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-0.77ChemAxon
pKa (Strongest Acidic)4.58ChemAxon
Physiological Charge2ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity0 m³·mol⁻¹ChemAxon
Polarizability1.78 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
EI-MS/GC-MSNot Available
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0a4i-9000000000-af3e7aec4f5bd96686832016-08-01View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0a4i-9000000000-af3e7aec4f5bd96686832016-08-01View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0a4i-9000000000-af3e7aec4f5bd96686832016-08-01View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0udi-9000000000-3335fec4c3184739b75e2016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0udi-9000000000-3335fec4c3184739b75e2016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0udi-9000000000-3335fec4c3184739b75e2016-08-03View Spectrum
NMRNot Available
Pathways
Pathways
Protein Targets
Enzymes
Transporters
Protein NameGene NameLocusUniprot IDDetails
NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 11NDUFA1119p13.3Q86Y39 details
Acyl carrier protein, mitochondrialNDUFAB116p12.2O14561 details
Cytochrome b-c1 complex subunit Rieske, mitochondrialUQCRFS119q12P47985 details
Solute carrier family 40 member 1SLC40A12q32Q9NP59 details
Natural resistance-associated macrophage protein 2SLC11A212q13P49281 details
CubilinCUBN10p12.31O60494 details
Proton-coupled folate transporterSLC46A117q11.2Q96NT5 details
Cytochrome b-c1 complex subunit 10UQCR1119p13.3O14957 details
ATP-binding cassette sub-family B member 7, mitochondrialABCB7O75027 details
Natural resistance-associated macrophage protein 1SLC11A12q35P49279 details
Zinc transporter ZIP14SLC39A148p21.3Q15043 details
Sideroflexin-1SFXN1Q9H9B4 details
Sideroflexin-2SFXN210q24.32Q96NB2 details
Sideroflexin-3SFXN310q24.31Q9BWM7 details
Sideroflexin-4SFXN410q26.11Q6P4A7 details
Sideroflexin-5SFXN5Q8TD22 details
Metal Bindings
Receptors
Transcriptional Factors
Protein NameGene NameLocusUniprot IDDetails
Ribonucleoside-diphosphate reductase subunit M2RRM22p25-p24P31350 details
Heme oxygenase 1HMOX122q13.1P09601 details
Ubiquitin-conjugating enzyme E2 D1UBE2D110q21.1P51668 details
Aspartyl/asparaginyl beta-hydroxylaseASPH8q12.1Q12797 details
Hypoxia-inducible factor 1-alpha inhibitorHIF1AN10q24Q9NWT6 details
Superoxide dismutase [Mn], mitochondrialSOD26q25.3P04179 details
Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoformPPP2CA5q31.1P67775 details
Transcription factor NF-E2 45 kDa subunitNFE212q13Q16621 details
Serine/threonine-protein phosphatase 5PPP5C19q13.3P53041 details
Concentrations Data
Cannabis CultivarStatusValueReferenceDetails
Alien DawgDetected and Quantified0.195 mg/g dry wt
    • David S. Wishart,...
 details
GabriolaDetected and Quantified0.297 mg/g dry wt
    • David S. Wishart,...
 details
Island HoneyDetected and Quantified0.198 mg/g dry wt
    • David S. Wishart,...
 details
QuadraDetected and Quantified0.217 mg/g dry wt
    • David S. Wishart,...
 details
Sensi StarDetected and Quantified0.098 mg/g dry wt
    • David S. Wishart,...
 details
Tangerine DreamDetected and Quantified0.087 mg/g dry wt
    • David S. Wishart,...
 details
HMDB IDHMDB0015531
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB030855
KNApSAcK IDNot Available
Chemspider ID25394
KEGG Compound IDC14818
BioCyc IDFE%2b2
BiGG ID33552
Wikipedia LinkIron
METLIN IDNot Available
PubChem Compound27284
PDB IDFE2
ChEBI ID29033
References
General ReferencesNot Available

Only showing the first 10 proteins. There are 274 proteins in total.

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Enzymes

Enzyme Details
1. 5-aminolevulinate synthase, erythroid-specific, mitochondrial
General function:
Involved in 5-aminolevulinate synthase activity
Specific function:
Not Available
Gene Name:
ALAS2
Uniprot ID:
P22557
Molecular weight:
64632.86
Enzyme Details
2. 85/88 kDa calcium-independent phospholipase A2
General function:
Involved in metabolic process
Specific function:
Catalyzes the release of fatty acids from phospholipids. It has been implicated in normal phospholipid remodeling, nitric oxide-induced or vasopressin-induced arachidonic acid release and in leukotriene and prostaglandin production. May participate in fas mediated apoptosis and in regulating transmembrane ion flux in glucose-stimulated B-cells. Has a role in cardiolipin (CL) deacylation. Required for both speed and directionality of monocyte MCP1/CCL2-induced chemotaxis through regulation of F-actin polymerization at the pseudopods. Isoform ankyrin-iPLA2-1 and isoform ankyrin-iPLA2-2, which lack the catalytic domain, are probably involved in the negative regulation of iPLA2 activity.
Gene Name:
PLA2G6
Uniprot ID:
O60733
Molecular weight:
84092.635
Enzyme Details
3. Tartrate-resistant acid phosphatase type 5
General function:
Involved in hydrolase activity
Specific function:
Involved in osteopontin/bone sialoprotein dephosphorylation. Its expression seems to increase in certain pathological states such as Gaucher and Hodgkin diseases, the hairy cell, the B-cell, and the T-cell leukemias.
Gene Name:
ACP5
Uniprot ID:
P13686
Molecular weight:
36598.47
Enzyme Details
4. Ribonucleoside-diphosphate reductase large subunit
General function:
Involved in oxidation reduction
Specific function:
Provides the precursors necessary for DNA synthesis. Catalyzes the biosynthesis of deoxyribonucleotides from the corresponding ribonucleotides.
Gene Name:
RRM1
Uniprot ID:
P23921
Molecular weight:
90069.375
Enzyme Details
5. Ribonucleoside-diphosphate reductase subunit M2
General function:
Involved in oxidoreductase activity
Specific function:
Provides the precursors necessary for DNA synthesis. Catalyzes the biosynthesis of deoxyribonucleotides from the corresponding ribonucleotides. Inhibits Wnt signaling.
Gene Name:
RRM2
Uniprot ID:
P31350
Molecular weight:
44877.25
Enzyme Details
6. NADH-ubiquinone oxidoreductase chain 1
General function:
Involved in oxidation reduction
Specific function:
Core subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I) that is believed to belong to the minimal assembly required for catalysis. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone (By similarity).
Gene Name:
MT-ND1
Uniprot ID:
P03886
Molecular weight:
35660.055
Enzyme Details
7. NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 1
General function:
Involved in NADH dehydrogenase activity
Specific function:
Accessory subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I), that is believed not to be involved in catalysis. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone
Gene Name:
NDUFB1
Uniprot ID:
O75438
Molecular weight:
6961.2
Enzyme Details
8. NADH dehydrogenase [ubiquinone] iron-sulfur protein 2, mitochondrial
General function:
Involved in oxidoreductase activity, acting on NADH or NADPH
Specific function:
Core subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I) that is believed to belong to the minimal assembly required for catalysis. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone (By similarity).
Gene Name:
NDUFS2
Uniprot ID:
O75306
Molecular weight:
51851.59
Enzyme Details
9. Succinate dehydrogenase cytochrome b560 subunit, mitochondrial
General function:
Involved in succinate dehydrogenase activity
Specific function:
Membrane-anchoring subunit of succinate dehydrogenase (SDH) that is involved in complex II of the mitochondrial electron transport chain and is responsible for transferring electrons from succinate to ubiquinone (coenzyme Q).
Gene Name:
SDHC
Uniprot ID:
Q99643
Molecular weight:
16650.185
Enzyme Details
10. Peroxisomal N(1)-acetyl-spermine/spermidine oxidase
General function:
Amino acid transport and metabolism
Specific function:
Flavoenzyme which catalyzes the oxidation of N(1)-acetylspermine to spermidine and is thus involved in the polyamine back-conversion. Can also oxidize N(1)-acetylspermidine to putrescine. Substrate specificity: N(1)-acetylspermine = N(1)-acetylspermidine > N(1),N(12)-diacylspermine >> spermine. Does not oxidize spermidine. Plays an important role in the regulation of polyamine intracellular concentration and has the potential to act as a determinant of cellular sensitivity to the antitumor polyamine analogs.
Gene Name:
PAOX
Uniprot ID:
Q6QHF9
Molecular weight:
55512.64

Transporters

Enzyme Details
1. NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 11
General function:
Involved in protein transporter activity
Specific function:
Accessory subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I), that is believed not to be involved in catalysis. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone
Gene Name:
NDUFA11
Uniprot ID:
Q86Y39
Molecular weight:
14852.0
Enzyme Details
2. Acyl carrier protein, mitochondrial
General function:
Involved in acyl carrier activity
Specific function:
Carrier of the growing fatty acid chain in fatty acid biosynthesis in mitochondria. Accessory and non-catalytic subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I), which functions in the transfer of electrons from NADH to the respiratory chain
Gene Name:
NDUFAB1
Uniprot ID:
O14561
Molecular weight:
17417.1
Enzyme Details
3. Cytochrome b-c1 complex subunit Rieske, mitochondrial
General function:
Involved in oxidoreductase activity
Specific function:
Component of the ubiquinol-cytochrome c reductase complex (complex III or cytochrome b-c1 complex), which is a respiratory chain that generates an electrochemical potential coupled to ATP synthesis. The transit peptide of the Rieske protein seems to form part of the bc1 complex and is considered to be the subunit 11/IX of that complex (By similarity).
Gene Name:
UQCRFS1
Uniprot ID:
P47985
Molecular weight:
29667.695
Enzyme Details
4. Solute carrier family 40 member 1
General function:
Involved in iron ion transmembrane transporter activity
Specific function:
May be involved in iron export from duodenal epithelial cell and also in transfer of iron between maternal and fetal circulation. Mediates iron efflux in the presence of a ferroxidase (hephaestin and/or ceruloplasmin)
Gene Name:
SLC40A1
Uniprot ID:
Q9NP59
Molecular weight:
62541.6
Enzyme Details
5. Natural resistance-associated macrophage protein 2
General function:
Involved in transporter activity
Specific function:
Important in metal transport, in particular iron. Can also transport manganese, cobalt, cadmium, nickel, vanadium and lead. Involved in apical iron uptake into duodenal enterocytes. Involved in iron transport from acidified endosomes into the cytoplasm of erythroid precursor cells. May play an important role in hepatic iron accumulation and tissue iron distribution
Gene Name:
SLC11A2
Uniprot ID:
P49281
Molecular weight:
62265.2
Enzyme Details
6. Cubilin
General function:
Involved in calcium ion binding
Specific function:
Cotransporter which plays a role in lipoprotein, vitamin and iron metabolism, by facilitating their uptake. Binds to ALB, MB, Kappa and lambda-light chains, TF, hemoglobin, GC, SCGB1A1, APOA1, high density lipoprotein, and the GIF-cobalamin complex. The binding of all ligands required calcium. Serves as important transporter in several absorptive epithelia, including intestine, renal proximal tubules and embryonic yolk sac. Interaction with LRP2 mediates its trafficking throughout vesicles and facilitates the uptake of specific ligands like GC, hemoglobin, ALB, TF and SCGB1A1. Interaction with AMN controls its trafficking to the plasma membrane and facilitates endocytosis of ligands. May play an important role in the development of the peri-implantation embryo through internalization of APOA1 and cholesterol. Binds to LGALS3 at the maternal-fetal interface
Gene Name:
CUBN
Uniprot ID:
O60494
Molecular weight:
398672.8
Enzyme Details
7. Proton-coupled folate transporter
General function:
Involved in transmembrane transport
Specific function:
Has been shown to act both as an intestinal proton- coupled high-affinity folate transporter and as an intestinal heme transporter which mediates heme uptake from the gut lumen into duodenal epithelial cells. The iron is then released from heme and may be transported into the bloodstream. Dietary heme iron is an important nutritional source of iron. Shows a higher affinity for folate than heme
Gene Name:
SLC46A1
Uniprot ID:
Q96NT5
Molecular weight:
49770.0
Enzyme Details
8. Cytochrome b-c1 complex subunit 10
General function:
Involved in ubiquinol-cytochrome-c reductase activity
Specific function:
This protein may be closely linked to the iron-sulfur protein in the complex and function as an iron-sulfur protein binding factor
Gene Name:
UQCR11
Uniprot ID:
O14957
Molecular weight:
6569.7
Enzyme Details
9. ATP-binding cassette sub-family B member 7, mitochondrial
General function:
Involved in ATP binding
Specific function:
Could be involved in the transport of heme from the mitochondria to the cytosol. Plays a central role in the maturation of cytosolic iron-sulfur (Fe/S) cluster-containing proteins
Gene Name:
ABCB7
Uniprot ID:
O75027
Molecular weight:
82640.6
Enzyme Details
10. Natural resistance-associated macrophage protein 1
General function:
Involved in transporter activity
Specific function:
Divalent transition metal (iron and manganese) transporter involved in iron metabolism and host resistance to certain pathogens. Macrophage-specific membrane transport function. Controls natural resistance to infection with intracellular parasites. Pathogen resistance involves sequestration of Fe(2+) and Mn(2+), cofactors of both prokaryotic and eukaryotic catalases and superoxide dismutases, not only to protect the macrophage against its own generation of reactive oxygen species, but to deny the cations to the pathogen for synthesis of its protective enzymes
Gene Name:
SLC11A1
Uniprot ID:
P49279
Molecular weight:
59871.6

Only showing the first 10 proteins. There are 274 proteins in total.

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