MiMeDB: Showing metabocard for cobalt(+) (MMDBc0054702)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2022-06-06 15:55:32 UTC

Update Date

2022-08-12 20:09:03 UTC

Metabolite ID

MMDBc0054702

Metabolite Identification

Common Name

cobalt(+)

Description

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
27Co	ChEBI
Co	ChEBI
Cobalto	ChEBI
Cobaltum	ChEBI
Kobalt	ChEBI

Molecular Formula

Average Mass

58.9332

Monoisotopic Mass

58.933200194

IUPAC Name

cobalt

Traditional Name

cobalt

CAS Registry Number

Not Available

SMILES

[Co]

InChI Identifier

InChI=1S/Co

InChI Key

GUTLYIVDDKVIGB-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.

Kingdom

Inorganic compounds

Super Class

Homogeneous metal compounds

Class

Homogeneous transition metal compounds

Sub Class

Not Available

Direct Parent

Homogeneous transition metal compounds

Alternative Parents

Not Available

Substituents

Homogeneous transition metal

Molecular Framework

Not Available

External Descriptors

cobalt group element atom (CHEBI:27638 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	0 g/L	ALOGPS
logP	-1.3	ALOGPS
logP	0.23	ChemAxon
logS	1.08	ALOGPS
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	0 m³·mol⁻¹	ChemAxon
Polarizability	1.78 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0a4i-9000000000-5ec55e9e276ff34b918f	2016-06-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0a4i-9000000000-5ec55e9e276ff34b918f	2016-06-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0a4i-9000000000-5ec55e9e276ff34b918f	2016-06-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0a4i-9000000000-c4eed668d3af388c4a95	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0a4i-9000000000-c4eed668d3af388c4a95	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0a4i-9000000000-c4eed668d3af388c4a95	2016-08-03	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference
MMDBr0013807	Mesna	cobalt(+)	Methylcobamide:CoM methyltransferase MtbA	Methylation	RHEA	34755880
MMDBr0014610	cobalt(+)	methyl-Co(2+)	Monomethylamine methyltransferase MtmB	Methylation	RHEA	34755880
MMDBr0015695	cobalt(+)	Dimethylamine	Trimethylamine methyltransferase MttB	Methylation	RHEA	34755880
MMDBr0015773	cobalt(+)	methyl-Co(2+)	Dimethylamine methyltransferase MtbB1	Methylation	RHEA	34755880
MMDBr0016121	5,6,7,8-tetrahydrosarcinapterin	5-methyltetrahydrosarcinapterin	Acetyl-CoA decarbonylase/synthase complex subunit gamma	Synthesis	RHEA	34755880
MMDBr0016122	(6S)-5,6,7,8-tetrahydrofolic acid	(6S)-5-methyl-5,6,7,8-tetrahydrofolic acid	5-methyltetrahydrofolate:corrinoid/iron-sulfur protein co-methyltransferase	Methylation	RHEA	34755880
MMDBr0016125	Acetyl-CoA	Carbon monoxide	Acetyl-CoA decarbonylase/synthase complex subunit beta	Dehydrogenation; Synthesis	RHEA	34755880

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species
Archaea/Archaea	Euryarchaeota	8
Archaea	Euryarchaeota	1
Bacteria	Firmicutes	3
Archaea/Archaea	nah	1

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB003581

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

C19171

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Cobalt

METLIN ID

Not Available

PubChem Compound

104730

PDB ID

Not Available

ChEBI ID

27638

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Bansal P, Morgat A, Axelsen KB, Muthukrishnan V, Coudert E, Aimo L, Hyka-Nouspikel N, Gasteiger E, Kerhornou A, Neto TB, Pozzato M, Blatter MC, Ignatchenko A, Redaschi N, Bridge A: Rhea, the reaction knowledgebase in 2022. Nucleic Acids Res. 2022 Jan 7;50(D1):D693-D700. doi: 10.1093/nar/gkab1016. [PubMed:34755880 ]

Showing metabocard for cobalt(+) (MMDBc0054702)

MOL for #<Metabolite:0x000055c79c56b2d8>

3D MOL for #<Metabolite:0x000055c79c56b2d8>

3D SDF for #<Metabolite:0x000055c79c56b2d8>

3D-SDF for #<Metabolite:0x000055c79c56b2d8>

PDB for #<Metabolite:0x000055c79c56b2d8>

3D PDB for #<Metabolite:0x000055c79c56b2d8>

SMILES for #<Metabolite:0x000055c79c56b2d8>

INCHI for #<Metabolite:0x000055c79c56b2d8>

Structure for #<Metabolite:0x000055c79c56b2d8>

3D Structure for #<Metabolite:0x000055c79c56b2d8>