CHEBI:85926 - (14Z)-hexadecenoyl-CoA(4−)

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ChEBI Name (14Z)-hexadecenoyl-CoA(4−)
ChEBI ID CHEBI:85926
ChEBI ASCII Name (14Z)-hexadecenoyl-CoA(4-)
Definition A hexadecenoyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate OH groups of (14Z)-hexadecenoyl-CoA; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C37H60N7O17P3S
Net Charge -4
Average Mass 999.89700
Monoisotopic Mass 999.30012
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/h4-5,24-26,30-32,36,47-48H,6-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/b5-4-/t26-,30-,31-,32+,36-/m1/s1
InChIKey HIHIIKWURVKNRP-CTCHSOFBSA-J
SMILES C\C=C/CCCCCCCCCCCCC(=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
ChEBI Ontology
Outgoing (14Z)-hexadecenoyl-CoA(4−) (CHEBI:85926) is a hexadecenoyl-CoA(4−) (CHEBI:139572)
(14Z)-hexadecenoyl-CoA(4−) (CHEBI:85926) is conjugate base of (14Z)-hexadecenoyl-CoA (CHEBI:86143)
Incoming (14Z)-hexadecenoyl-CoA (CHEBI:86143) is conjugate acid of (14Z)-hexadecenoyl-CoA(4−) (CHEBI:85926)
Synonyms Sources
(14Z)-hexadecenoyl-CoA UniProt
(14Z)-hexadecenoyl-coenzyme A(4−) ChEBI
(Z)-hexadec-14-enoyl-CoA(4−) ChEBI
(Z)-hexadec-14-enoyl-coenzyme A(4−) ChEBI
Manual Xref Database
CPD-17468 MetaCyc
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Citations Waiting for Citations Types Sources
17360547 PubMed citation SUBMITTER
18992816 PubMed citation SUBMITTER
Last Modified
02 February 2018