CHEBI:77551 - trans-2-heptadecenoyl-CoA(4−)

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ChEBI Name trans-2-heptadecenoyl-CoA(4−)
ChEBI ID CHEBI:77551
ChEBI ASCII Name trans-2-heptadecenoyl-CoA(4-)
Definition An acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of trans-2-heptadecenoyl-CoA; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter AnneNiknejad
Supplier Information
Download Molfile XML SDF
Formula C38H62N7O17P3S
Net Charge -4
Average Mass 1013.92400
Monoisotopic Mass 1013.31577
InChI InChI=1S/C38H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29(47)66-22-21-40-28(46)19-20-41-36(50)33(49)38(2,3)24-59-65(56,57)62-64(54,55)58-23-27-32(61-63(51,52)53)31(48)37(60-27)45-26-44-30-34(39)42-25-43-35(30)45/h17-18,25-27,31-33,37,48-49H,4-16,19-24H2,1-3H3,(H,40,46)(H,41,50)(H,54,55)(H,56,57)(H2,39,42,43)(H2,51,52,53)/p-4/b18-17+/t27-,31-,32-,33+,37-/m1/s1
InChIKey YDHQUKOTPYJJSE-WSFAOELFSA-J
SMILES CCCCCCCCCCCCCC\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-heptadecenoyl-CoA(4−) (CHEBI:77551) is a 2,3-trans-enoyl CoA(4−) (CHEBI:58856)
trans-2-heptadecenoyl-CoA(4−) (CHEBI:77551) is a monounsaturated fatty acyl-CoA(4−) (CHEBI:77331)
trans-2-heptadecenoyl-CoA(4−) (CHEBI:77551) is conjugate base of trans-2-heptadecenoyl-CoA (CHEBI:78179)
Incoming trans-2-heptadecenoyl-CoA (CHEBI:78179) is conjugate acid of trans-2-heptadecenoyl-CoA(4−) (CHEBI:77551)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-heptadec-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms Sources
(E)-2-heptadecenoyl-CoA(4−) ChEBI
(E)-2-heptadecenoyl-coenzyme A(4−) ChEBI
trans-2-heptadecenoyl-CoA UniProt
trans-2-heptadecenoyl-coenzyme A(4−) ChEBI
Citation Waiting for Citations Type Source
16020546 PubMed citation SUBMITTER
Last Modified
18 April 2014