CHEBI:77545 - trans-2-pentadecenoyl-CoA(4−)

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ChEBI Name trans-2-pentadecenoyl-CoA(4−)
ChEBI ID CHEBI:77545
ChEBI ASCII Name trans-2-pentadecenoyl-CoA(4-)
Definition A monounsaturated fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of trans-2-pentadecenoyl-CoA; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter AnneNiknejad
Supplier Information
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Formula C36H58N7O17P3S
Net Charge -4
Average Mass 985.87100
Monoisotopic Mass 985.28447
InChI InChI=1S/C36H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-27(45)64-20-19-38-26(44)17-18-39-34(48)31(47)36(2,3)22-57-63(54,55)60-62(52,53)56-21-25-30(59-61(49,50)51)29(46)35(58-25)43-24-42-28-32(37)40-23-41-33(28)43/h15-16,23-25,29-31,35,46-47H,4-14,17-22H2,1-3H3,(H,38,44)(H,39,48)(H,52,53)(H,54,55)(H2,37,40,41)(H2,49,50,51)/p-4/b16-15+/t25-,29-,30-,31+,35-/m1/s1
InChIKey BUFWYEICGKLDLP-OUZMRWKYSA-J
SMILES CCCCCCCCCCCC\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
ChEBI Ontology
Outgoing trans-2-pentadecenoyl-CoA(4−) (CHEBI:77545) is a monounsaturated fatty acyl-CoA(4−) (CHEBI:77331)
trans-2-pentadecenoyl-CoA(4−) (CHEBI:77545) is conjugate base of trans-2-pentadecenoyl-CoA (CHEBI:77630)
Incoming trans-2-pentadecenoyl-CoA (CHEBI:77630) is conjugate acid of trans-2-pentadecenoyl-CoA(4−) (CHEBI:77545)
Synonyms Sources
(2E)-pentadecenoyl-CoA UniProt
(E)-2-pentadecenoyl-CoA(4−) ChEBI
(E)-pentadec-2-enoyl-CoA(4−) ChEBI
trans-pentadec-2-enoyl-CoA(4−) ChEBI
Citation Waiting for Citations Type Source
16020546 PubMed citation SUBMITTER
Last Modified
13 March 2014