CHEBI:52381 - hexadec-2-enoyl-CoA

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ChEBI Name hexadec-2-enoyl-CoA
ChEBI ID CHEBI:52381
Definition A hexadecenoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of hexadec-2-enoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter kieran
Supplier Information
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Formula C37H64N7O17P3S
Net Charge 0
Average Mass 1003.92700
Monoisotopic Mass 1003.329
InChI InChI=1S/C37H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h16-17,24-26,30-32,36,47-48H,4-15,18-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/t26-,30-,31-,32+,36-/m1/s1
InChIKey JUPAQFRKPHPXLD-BBECNAHFSA-N
SMILES [H]C(CCCCCCCCCCCCC)=CC(=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
Saccharomyces cerevisiae (NCBI:txid4932) Source: yeast.sf.net See: PubMed
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
Biological Role(s): Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing hexadec-2-enoyl-CoA (CHEBI:52381) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
hexadec-2-enoyl-CoA (CHEBI:52381) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348)
hexadec-2-enoyl-CoA (CHEBI:52381) is a hexadecenoyl-CoA (CHEBI:24549)
Incoming (E)-hexadec-2-enoyl-CoA (CHEBI:28935) is a hexadec-2-enoyl-CoA (CHEBI:52381)
Synonyms Sources
2-hexadecenoyl-CoA ChEBI
2-hexadecenoyl-coenzyme A ChEBI
C16:1 n-14 CoA ChEBI
hexadec-2-enoyl-coenzyme A ChEBI
Citations Waiting for Citations Types Sources
10085244 PubMed citation Europe PMC
18670371 PubMed citation Europe PMC
2166037 PubMed citation Europe PMC
3778460 PubMed citation Europe PMC
9920399 PubMed citation Europe PMC
Last Modified
21 January 2016
General Comment
2011-05-31 Have changed "(n-C16:1CoA)" to reflect position of the double bond.
 
Submitter Remark
2009-05-08 14:32:57.0 Marcus Ennis Based on the diagram which you supply, the double bond of the hexadecenoyl chain is at position 3: hence I have renamed the entity as hexadec-3-enoyl-CoA. Also, it is my guess that the "(n-C16:1CoA)" in brackets following the name is actually a synonym and I have therefore moved it to the Synonyms section.
2009-05-08 14:37:04.0 Marcus Ennis Sorry, my mistake. For 'position 3' read 'position 2' and for 'hexadec-3-enoyl-CoA' read 'hexadec-2-enoyl-CoA'.