MiMeDB: Showing metabocard for (2E,4E)-decadienoyl-CoA (MMDBc0054796)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2022-06-17 19:34:58 UTC

Update Date

2022-08-12 20:09:05 UTC

MiMeDB ID

MMDBc0054796

Metabolite Identification

Common Name

(2E,4E)-decadienoyl-CoA

Description

trans,trans-deca-2,4-dienoyl-CoA(4-), also known as (2E,4E)-deca-2,4-dienoyl-CoA(4-) or trans-δ(2),trans-δ(4)-decadienoyl-CoA(4-), belongs to the class of organic compounds known as medium-chain 2-enoyl coas. These are organic compounds containing a coenzyme A substructure linked to a medium-chain 2-enoyl chain of 5 to 12 carbon atoms. Based on a literature review very few articles have been published on trans,trans-deca-2,4-dienoyl-CoA(4-).

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
(2E,4E)-Deca-2,4-dienoyl-CoA(4-)	ChEBI
(2E,4E)-Decadienoyl-CoA	ChEBI
(e,e)-Deca-2,4-dienoyl-CoA(4-)	ChEBI
trans,trans-2,3,4,5-Tetradehydroacyl-CoA (C10) (4-)	ChEBI
trans-Delta(2),trans-Delta(4)-Decadienoyl-CoA(4-)	ChEBI
trans-Δ(2),trans-δ(4)-decadienoyl-CoA(4-)	Generator

Chemical Formula

C₃₁H₄₆N₇O₁₇P₃S

Average Molecular Weight

913.72

Monoisotopic Molecular Weight

913.190569537

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C31H50N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h8-11,18-20,24-26,30,41-42H,4-7,12-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/p-4/b9-8+,11-10+/t20-,24-,25-,26+,30-/m1/s1

InChI Key

FASAKYLWSRDQOH-PPQZQFPZSA-J

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as medium-chain 2-enoyl coas. These are organic compounds containing a coenzyme A substructure linked to a medium-chain 2-enoyl chain of 5 to 12 carbon atoms.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acyl thioesters

Direct Parent

Medium-chain 2-enoyl 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

acyl-CoA(4-) (CHEBI:62244 )
6-saturated-trans,trans-2,4-dienoyl-CoA(4-) (CHEBI:62244 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Not Available

Spectra

Not Available

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

Proteins

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Related Health Condition	Evidence Type	Measured in Matrix	Data Source	Reference

Microbial Sources

Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
	Proteobacteria	1

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference	Details

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

Not Available

KNApSAcK ID

Not Available

Chemspider ID

26332594

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

52921673

PDB ID

Not Available

ChEBI ID

62244

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 (2E,4E)-decadienoyl-CoA (MMDBc0054796)

MOL for #<Metabolite:0x000055b76db94450>

3D MOL for #<Metabolite:0x000055b76db94450>

3D SDF for #<Metabolite:0x000055b76db94450>

3D-SDF for #<Metabolite:0x000055b76db94450>

PDB for #<Metabolite:0x000055b76db94450>

3D PDB for #<Metabolite:0x000055b76db94450>

SMILES for #<Metabolite:0x000055b76db94450>

INCHI for #<Metabolite:0x000055b76db94450>

Structure for #<Metabolite:0x000055b76db94450>

3D Structure for #<Metabolite:0x000055b76db94450>