CHEBI:28706 - trans-hex-2-enoyl-CoA

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ChEBI Name trans-hex-2-enoyl-CoA
ChEBI ID CHEBI:28706
ChEBI ASCII Name trans-hex-2-enoyl-CoA
Definition An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of trans-hex-2-enoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:10726, CHEBI:27076
Supplier Information
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Formula C27H44N7O17P3S
Net Charge 0
Average Mass 863.66252
InChI InChI=1S/C27H44N7O17P3S/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34/h6-7,14-16,20-22,26,37-38H,4-5,8-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/b7-6+/t16-,20-,21-,22+,26-/m1/s1
InChIKey OINXHIBNZUUIMR-IXUYQXAASA-N
SMILES CCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Metabolite of Species Details
Mus musculus (NCBI:10090) Source: BioModels - MODEL1507180067 See: PubMed
Escherichia coli (NCBI:562) See: PubMed
Homo sapiens (NCBI:9606) See: DOI
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via acyl-CoA )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing trans-hex-2-enoyl-CoA (CHEBI:28706) has functional parent coenzyme A (CHEBI:15346)
trans-hex-2-enoyl-CoA (CHEBI:28706) has role Escherichia coli metabolite (CHEBI:76971)
trans-hex-2-enoyl-CoA (CHEBI:28706) has role human metabolite (CHEBI:77746)
trans-hex-2-enoyl-CoA (CHEBI:28706) has role mouse metabolite (CHEBI:75771)
trans-hex-2-enoyl-CoA (CHEBI:28706) is a medium-chain fatty acyl-CoA (CHEBI:61907)
trans-hex-2-enoyl-CoA (CHEBI:28706) is a unsaturated fatty acyl-CoA (CHEBI:51006)
trans-hex-2-enoyl-CoA (CHEBI:28706) is conjugate acid of trans-hex-2-enoyl-CoA(4−) (CHEBI:62077)
Incoming trans-hex-2-enoyl-CoA(4−) (CHEBI:62077) is conjugate base of trans-hex-2-enoyl-CoA (CHEBI:28706)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-hex-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
(2E)-Hexenoyl-CoA KEGG COMPOUND
(2E)-hexenoyl-coenzyme A ChEBI
2E-hexenoyl-CoA LIPID MAPS
2E-hexenoyl-coenzyme A ChEBI
trans-2,3-dehydrohexanoyl-CoA ChEBI
trans-2,3-dehydrohexanoyl-coenzyme A ChEBI
trans-2-hexenoyl-coenzyme A ChEBI
trans-Hex-2-enoyl-CoA KEGG COMPOUND
trans-hex-2-enoyl-coenzyme A ChEBI
Database Links Databases
C05271 KEGG COMPOUND
HMDB03944 HMDB
LMFA07050019 LIPID MAPS
View more database links
Last Modified
27 January 2016