MiMeDB: Showing metabocard for Gamma-linolenoyl-CoA (MMDBc0048685)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2022-04-29 22:06:54 UTC

Update Date

2022-08-13 17:09:24 UTC

Metabolite ID

MMDBc0048685

Metabolite Identification

Common Name

Gamma-linolenoyl-CoA

Description

gamma-linolenoyl-CoA(4-), also known as gla-CoA(4-) or g-linolenoyl-coenzyme A(4-), belongs to the class of organic compounds known as long-chain fatty acyl coas. These are acyl CoAs where the group acylated to the coenzyme A moiety is a long aliphatic chain of 13 to 21 carbon atoms. Based on a literature review a small amount of articles have been published on gamma-linolenoyl-CoA(4-).

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
(6Z,9Z,12Z)-6,9,12-Octadecatrienoyl-CoA(4-)	ChEBI
(6Z,9Z,12Z)-Octadecatrienoyl-CoA	ChEBI
6-cis,9-cis,12-cis-Octadecatrienoyl-CoA(4-)	ChEBI
6-cis,9-cis,12-cis-Octadecatrienoyl-coenzyme A(4-)	ChEBI
gamma-Linolenoyl-coenzyme A(4-)	ChEBI
Gamolenoyl-CoA(4-)	ChEBI
GLA-CoA(4-)	ChEBI
g-Linolenoyl-coenzyme A(4-)	Generator
Γ-linolenoyl-coenzyme A(4-)	Generator
g-Linolenoyl-CoA(4-)	Generator
Γ-linolenoyl-CoA(4-)	Generator

Molecular Formula

C₃₉H₆₀N₇O₁₇P₃S

Average Mass

1023.92

Monoisotopic Mass

1023.300119988

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C39H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h8-9,11-12,14-15,26-28,32-34,38,49-50H,4-7,10,13,16-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/p-4/b9-8-,12-11-,15-14-/t28-,32-,33-,34+,38-/m1/s1

InChI Key

XZQYPTBYQYZGRU-FHDVEODPSA-J

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as long-chain fatty acyl coas. These are acyl CoAs where the group acylated to the coenzyme A moiety is a long aliphatic chain of 13 to 21 carbon atoms.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acyl thioesters

Direct Parent

Long-chain fatty acyl CoAs

Alternative Parents

Substituents

Coenzyme a or derivatives
Purine ribonucleoside 3',5'-bisphosphate
Purine ribonucleoside bisphosphate
Purine ribonucleoside diphosphate
Pentose phosphate
Pentose-5-phosphate
Ribonucleoside 3'-phosphate
Beta amino acid or derivatives
Glycosyl compound
N-glycosyl compound
6-aminopurine
Monosaccharide phosphate
Organic pyrophosphate
Imidazopyrimidine
Purine
Aminopyrimidine
N-substituted imidazole
Alkyl phosphate
Organic phosphoric acid derivative
N-acyl-amine
Monosaccharide
Pyrimidine
Fatty amide
Phosphoric acid ester
Imidolactam
Tetrahydrofuran
Imidazole
Heteroaromatic compound
Azole
Thiocarboxylic acid ester
Carbothioic s-ester
Amino acid or derivatives
Carboxamide group
Secondary carboxylic acid amide
Secondary alcohol
Thiocarboxylic acid or derivatives
Sulfenyl compound
Organoheterocyclic compound
Azacycle
Carboxylic acid derivative
Oxacycle
Alcohol
Organic oxygen compound
Organic nitrogen compound
Hydrocarbon derivative
Organopnictogen compound
Carbonyl group
Primary amine
Organic oxide
Amine
Organosulfur compound
Organooxygen compound
Organonitrogen compound
Organic anion
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

polyunsaturated fatty acyl-CoA(4-) (CHEBI:57363 )
gamma-linolenoyl bioconjugate (CHEBI:57363 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Not Available

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View

Chromatographic Retention Times and Retention Indices

Retention Times

Not Available

Retention Indices

Not Available

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Feces

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

Microbial Pathways

Pathways

Name	SMPDB/PathBank	Species
Phospholipid Biosynthesis CL(22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

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	Hosts and Body Sites	Microbial Links
Bacteria	nah	1

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified									HMDB

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

26330736

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

45266591

PDB ID

Not Available

ChEBI ID

57363

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Showing metabocard for Gamma-linolenoyl-CoA (MMDBc0048685)

MOL for #<Metabolite:0x00007f9aaa685348>

3D MOL for #<Metabolite:0x00007f9aaa685348>

3D SDF for #<Metabolite:0x00007f9aaa685348>

3D-SDF for #<Metabolite:0x00007f9aaa685348>

PDB for #<Metabolite:0x00007f9aaa685348>

3D PDB for #<Metabolite:0x00007f9aaa685348>

SMILES for #<Metabolite:0x00007f9aaa685348>

INCHI for #<Metabolite:0x00007f9aaa685348>

Structure for #<Metabolite:0x00007f9aaa685348>

3D Structure for #<Metabolite:0x00007f9aaa685348>