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

ChEBI IDCHEBI:77551
ChEBI Nametrans-2-heptadecenoyl-CoA(4−)
Stars
ASCII Nametrans-2-heptadecenoyl-CoA(4-)
DefinitionAn acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of trans-2-heptadecenoyl-CoA; major species at pH 7.3.
Last Modified28 July 2021
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC38H62N7O17P3S
Net Charge-4
Average Mass1013.935
Monoisotopic Mass1013.31577
SMILESCCCCCCCCCCCCCC/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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
InChIInChI=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
InChIKeyYDHQUKOTPYJJSE-WSFAOELFSA-J
ChEBI Ontology
Outgoing Relation(s)
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 long-chain fatty acyl-CoA(4−) (CHEBI:83139)
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 Relation(s)
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  Source
trans-2-heptadecenoyl-coenzyme A(4−)ChEBI
(E)-2-heptadecenoyl-coenzyme A(4−)ChEBI
(E)-2-heptadecenoyl-CoA(4−)ChEBI
UniProt Name  Source
trans-2-heptadecenoyl-CoAUniProt
Citations