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CHEBI:71489 - (6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA(4−)

ChEBI IDCHEBI:71489
ChEBI Name(6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA(4−)
Stars
ASCII Name(6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA(4-)
DefinitionAn acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of (6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA; major species at pH 7.3.
Last Modified28 July 2021
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC39H58N7O17P3S
Net Charge-4
Average Mass1021.914
Monoisotopic Mass1021.28447
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=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/C39H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h5-6,8-9,11-12,14-15,26-28,32-34,38,49-50H,4,7,10,13,16-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/p-4/b6-5-,9-8-,12-11-,15-14-/t28-,32-,33-,34+,38-/m1/s1
InChIKeyDDHCSALWDPRVCN-USWKVXSKSA-J
ChEBI Ontology
Outgoing Relation(s)
(6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA(4−) (CHEBI:71489) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
(6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA(4−) (CHEBI:71489) is a polyunsaturated fatty acyl-CoA(4−) (CHEBI:77330)
(6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA(4−) (CHEBI:71489) is conjugate base of (6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA (CHEBI:63545)
Incoming Relation(s)
(6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA (CHEBI:63545) is conjugate acid of (6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA(4−) (CHEBI:71489)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonym  Source
(6Z,9Z,12Z,15Z)-octadecatetraenoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
(6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoAUniProt