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CHEBI:74308 - (9Z)-heptadecenoyl-CoA(4−)

ChEBI IDCHEBI:74308
ChEBI Name(9Z)-heptadecenoyl-CoA(4−)
Stars
ASCII Name(9Z)-heptadecenoyl-CoA(4-)
DefinitionAn acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of (9Z)-heptadecenoyl-CoA.
Last Modified28 July 2021
Submitterabridge
DownloadsMolfile
FormulaC38H62N7O17P3S
Net Charge-4
Average Mass1013.935
Monoisotopic Mass1013.31577
SMILESCCCCCCC/C=C\CCCCCCCC(=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/h10-11,25-27,31-33,37,48-49H,4-9,12-24H2,1-3H3,(H,40,46)(H,41,50)(H,54,55)(H,56,57)(H2,39,42,43)(H2,51,52,53)/p-4/b11-10-/t27-,31-,32-,33+,37-/m1/s1
InChIKeyQVENOJALUCULON-VYZXCZBTSA-J
ChEBI Ontology
Outgoing Relation(s)
(9Z)-heptadecenoyl-CoA(4−) (CHEBI:74308) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
(9Z)-heptadecenoyl-CoA(4−) (CHEBI:74308) is a monounsaturated fatty acyl-CoA(4−) (CHEBI:77331)
(9Z)-heptadecenoyl-CoA(4−) (CHEBI:74308) is conjugate base of (9Z)-heptadecenoyl-CoA (CHEBI:74398)
Incoming Relation(s)
(9Z)-heptadecenoyl-CoA (CHEBI:74398) is conjugate acid of (9Z)-heptadecenoyl-CoA(4−) (CHEBI:74308)
IUPAC Names 
3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(9Z)-heptadec-9-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(9Z)-heptadec-9-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonym  Source
(9Z)-heptadecenoyl-coenzyme AChEBI
UniProt Name  Source
(9Z)-heptadecenoyl-CoAUniProt