CHEBI:50570 - trans-2-octadecenoyl-CoA

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ChEBI Name trans-2-octadecenoyl-CoA
ChEBI ASCII Name trans-2-octadecenoyl-CoA
Definition An octadecenoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of trans-2-octadecenoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C39H68N7O17P3S
Net Charge 0
Average Mass 1031.98148
Monoisotopic Mass 1031.36053
InChI InChI=1S/C39H68N7O17P3S/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/h18-19,26-28,32-34,38,49-50H,4-17,20-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b19-18+/t28-,32-,33-,34+,38-/m1/s1
SMILES CCCCCCCCCCCCCCC\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:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Saccharomyces cerevisiae (NCBI:txid4932) Source: See: PubMed
Escherichia coli (NCBI:txid562) See: PubMed
Homo sapiens (NCBI:txid9606) 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.
Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
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).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing trans-2-octadecenoyl-CoA (CHEBI:50570) has functional parent trans-octadec-2-enoic acid (CHEBI:50572)
trans-2-octadecenoyl-CoA (CHEBI:50570) has role Escherichia coli metabolite (CHEBI:76971)
trans-2-octadecenoyl-CoA (CHEBI:50570) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
trans-2-octadecenoyl-CoA (CHEBI:50570) has role human metabolite (CHEBI:77746)
trans-2-octadecenoyl-CoA (CHEBI:50570) has role mouse metabolite (CHEBI:75771)
trans-2-octadecenoyl-CoA (CHEBI:50570) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348)
trans-2-octadecenoyl-CoA (CHEBI:50570) is a trans-2-enoyl-CoA (CHEBI:50998)
trans-2-octadecenoyl-CoA (CHEBI:50570) is a octadecenoyl-CoA (CHEBI:139574)
trans-2-octadecenoyl-CoA (CHEBI:50570) is conjugate acid of trans-2-octadecenoyl-CoA(4−) (CHEBI:71412)
Incoming trans-2-octadecenoyl-CoA(4−) (CHEBI:71412) is conjugate base of trans-2-octadecenoyl-CoA (CHEBI:50570)
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2E)-octadec-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
(2E)-Octadecenoyl-CoA KEGG COMPOUND
(E)-2-octadecenoyl-CoA ChEBI
(E)-2-octadecenoyl-coenzyme A ChEBI
(E)-octadec-2-enoyl-CoA ChEBI
(E)-octadec-2-enoyl-coenzyme A ChEBI
trans-octadec-2-enoyl-CoA ChEBI
trans-Octadec-2-enoyl-CoA KEGG COMPOUND
trans-octadec-2-enoyl-coenzyme A ChEBI
Manual Xref Database
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Citation Waiting for Citations Type Source
30485 PubMed citation Europe PMC
Last Modified
02 February 2018