Showing Compound Card for Manganese (CDB005163)

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IdentificationTaxonomyOntologyPhysical propertiesSpectraProtein targetPathwaysConcentrationsLinksReferencesenzymes (161)transporters (1) Show 298 proteinsXML
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Record Information
Version1.0
Created at2020-04-17 19:15:40 UTC
Updated at2020-12-07 19:11:42 UTC
CannabisDB IDCDB005163
Secondary Accession NumbersNot Available
Cannabis Compound Identification
Common NameManganese
DescriptionManganese, also known as MN(II) or MN2+, 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. Manganese is possibly neutral. Manganese exists in all living species, ranging from bacteria to humans. In humans, manganese is involved in pyruvate metabolism. A divalent metal cation in which the metal is manganese. Outside of the human body, Manganese has been detected, but not quantified in, several different foods, such as malus (crab apple), roselles, grass pea, red beetroots, and mustard spinachs. This could make manganese a potential biomarker for the consumption of these foods. Manganese is a potentially toxic compound. Manganese is expected to be in Cannabis as all living plants are known to produce and metabolize it.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
MANGANESE (II) ionChEBI
Manganese(II)ChEBI
Manganese, ion (MN2+)ChEBI
Manganous ionChEBI
MN(II)ChEBI
MN(2+)ChEBI
MN2+ChEBI
Chemical FormulaMn
Average Molecular Weight54.94
Monoisotopic Molecular Weight54.938
IUPAC Namemanganese(2+) ion
Traditional Namemanganese(2+) ion
CAS Registry Number7439-96-5
SMILES
[Mn++]
InChI Identifier
InChI=1S/Mn/q+2
InChI KeyWAEMQWOKJMHJLA-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

Environmental role:

Industrial application:

Biological role:

Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting Point1244 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
logPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-0.16ChemAxon
pKa (Strongest Acidic)3.09ChemAxon
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-9000000000-6f3891a406ae3fe4f8832015-09-14View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0a4i-9000000000-6f3891a406ae3fe4f8832015-09-14View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0a4i-9000000000-6f3891a406ae3fe4f8832015-09-14View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0udi-9000000000-c3110d268939143a5f802015-09-15View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0udi-9000000000-c3110d268939143a5f802015-09-15View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0udi-9000000000-c3110d268939143a5f802015-09-15View Spectrum
NMRNot Available
Pathways
Pathways
Protein Targets
Enzymes
Transporters
Protein NameGene NameLocusUniprot IDDetails
Natural resistance-associated macrophage protein 1SLC11A12q35P49279 details
Metal Bindings
Receptors
Transcriptional Factors
Protein NameGene NameLocusUniprot IDDetails
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8APDE8A15q25.3O60658 details
CatalaseCAT11p13P04040 details
Superoxide dismutase [Mn], mitochondrialSOD26q25.3P04179 details
Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoformPPP2CA5q31.1P67775 details
Serine/threonine-protein phosphatase 5PPP5C19q13.3P53041 details
Protein phosphatase 1APPM1A14q23.1P35813 details
Protein phosphatase 1FPPM1F22q11.22P49593 details
Concentrations Data
Cannabis CultivarStatusValueReferenceDetails
Alien DawgDetected and Quantified0.161 mg/g dry wt
    • David S. Wishart,...
 details
GabriolaDetected and Quantified0.136 mg/g dry wt
    • David S. Wishart,...
 details
Island HoneyDetected and Quantified0.124 mg/g dry wt
    • David S. Wishart,...
 details
QuadraDetected and Quantified0.089 mg/g dry wt
    • David S. Wishart,...
 details
Sensi StarDetected and Quantified0.08 mg/g dry wt
    • David S. Wishart,...
 details
Tangerine DreamDetected and Quantified0.16 mg/g dry wt
    • David S. Wishart,...
 details
HMDB IDHMDB0001333
DrugBank IDDB06757
Phenol Explorer Compound IDNot Available
FoodDB IDFDB031005
KNApSAcK IDNot Available
Chemspider ID25916
KEGG Compound IDC19610
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkManganese
METLIN IDNot Available
PubChem Compound27854
PDB IDNot Available
ChEBI ID29035
References
General ReferencesNot Available

Only showing the first 10 proteins. There are 298 proteins in total.

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Enzymes

Enzyme Details
1. Acetyl-CoA carboxylase 2
General function:
Involved in acetyl-CoA carboxylase activity
Specific function:
ACC-beta may be involved in the provision of malonyl-CoA or in the regulation of fatty acid oxidation, rather than fatty acid biosynthesis. Carries out three functions: biotin carboxyl carrier protein, biotin carboxylase and carboxyltransferase.
Gene Name:
ACACB
Uniprot ID:
O00763
Molecular weight:
276538.575
Enzyme Details
2. Pyruvate carboxylase, mitochondrial
General function:
Involved in catalytic activity
Specific function:
Pyruvate carboxylase catalyzes a 2-step reaction, involving the ATP-dependent carboxylation of the covalently attached biotin in the first step and the transfer of the carboxyl group to pyruvate in the second. Catalyzes in a tissue specific manner, the initial reactions of glucose (liver, kidney) and lipid (adipose tissue, liver, brain) synthesis from pyruvate.
Gene Name:
PC
Uniprot ID:
P11498
Molecular weight:
129632.565
Enzyme Details
3. Acetyl-CoA carboxylase 1
General function:
Involved in acetyl-CoA carboxylase activity
Specific function:
Catalyzes the rate-limiting reaction in the biogenesis of long-chain fatty acids. Carries out three functions: biotin carboxyl carrier protein, biotin carboxylase and carboxyltransferase.
Gene Name:
ACACA
Uniprot ID:
Q13085
Molecular weight:
269997.01
Enzyme Details
4. Arginase-1
General function:
Involved in arginase activity
Specific function:
Not Available
Gene Name:
ARG1
Uniprot ID:
P05089
Molecular weight:
34734.655
Enzyme Details
5. Beta-1,4-galactosyltransferase 2
General function:
Involved in transferase activity, transferring glycosyl groups
Specific function:
Responsible for the synthesis of complex-type N-linked oligosaccharides in many glycoproteins as well as the carbohydrate moieties of glycolipids. Can produce lactose.
Gene Name:
B4GALT2
Uniprot ID:
O60909
Molecular weight:
41971.815
Enzyme Details
6. Beta-1,4-galactosyltransferase 1
General function:
Involved in transferase activity, transferring glycosyl groups
Specific function:
The Golgi complex form catalyzes the production of lactose in the lactating mammary gland and could also be responsible for the synthesis of complex-type N-linked oligosaccharides in many glycoproteins as well as the carbohydrate moieties of glycolipids. The cell surface form functions as a recognition molecule during a variety of cell to cell and cell to matrix interactions, as those occurring during development and egg fertilization, by binding to specific oligosaccharide ligands on opposing cells or in the extracellular matrix.
Gene Name:
B4GALT1
Uniprot ID:
P15291
Molecular weight:
43919.895
Enzyme Details
7. Globoside alpha-1,3-N-acetylgalactosaminyltransferase 1
General function:
Involved in transferase activity, transferring hexosyl groups
Specific function:
Catalyzes the formation of some glycolipid via the addition of N-acetylgalactosamine (GalNAc) in alpha-1,3-linkage to some substrate. Glycolipids probably serve for adherence of some pathogens
Gene Name:
GBGT1
Uniprot ID:
Q8N5D6
Molecular weight:
40126.9
Enzyme Details
8. Aminopeptidase N
General function:
Involved in proteolysis
Specific function:
Broad specificity aminopeptidase. Plays a role in the final digestion of peptides generated from hydrolysis of proteins by gastric and pancreatic proteases. May play a critical role in the pathogenesis of cholesterol gallstone disease. May be involved in the metabolism of regulatory peptides of diverse cell types, responsible for the processing of peptide hormones, such as angiotensin III and IV, neuropeptides, and chemokines. Found to cleave antigen peptides bound to major histocompatibility complex class II molecules of presenting cells and to degrade neurotransmitters at synaptic junctions. Is also implicated as a regulator of IL-8 bioavailability in the endometrium, and therefore may contribute to the regulation of angiogenesis. Is used as a marker for acute myeloid leukemia and plays a role in tumor invasion. In case of human coronavirus 229E (HCoV-229E) infection, serves as receptor for HCoV-229E spike glycoprotein. Mediates as well human cytomegalovirus (HCMV) infection.
Gene Name:
ANPEP
Uniprot ID:
P15144
Molecular weight:
Not Available
Enzyme Details
9. High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A
General function:
Involved in catalytic activity
Specific function:
Hydrolyzes the second messenger cAMP, which is a key regulator of many important physiological processes. May be involved in maintaining basal levels of the cyclic nucleotide and/or in the cAMP regulation of germ cell development.
Gene Name:
PDE8A
Uniprot ID:
O60658
Molecular weight:
86047.88
Enzyme Details
10. Bis(5'-adenosyl)-triphosphatase
General function:
Involved in catalytic activity
Specific function:
Cleaves A-5'-PPP-5'A to yield AMP and ADP. Possible tumor suppressor for specific tissues.
Gene Name:
FHIT
Uniprot ID:
P49789
Molecular weight:
16858.11

Transporters

Enzyme Details
1. 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 298 proteins in total.

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