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CHEBI:85914 - (9Z,12Z)-hexadeca-9,12,15-trienoyl-CoA(4−)

ChEBI IDCHEBI:85914
ChEBI Name(9Z,12Z)-hexadeca-9,12,15-trienoyl-CoA(4−)
Stars
ASCII Name(9Z,12Z)-hexadeca-9,12,15-trienoyl-CoA(4-)
DefinitionA polyunsaturated fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate OH groups of (9Z,12Z)-hexadeca-9,12,15-trienoyl-CoA; major species at pH 7.3.
Last Modified22 June 2015
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC37H56N7O17P3S
Net Charge-4
Average Mass995.876
Monoisotopic Mass995.26882
SMILESC=CC/C=C\C/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/C37H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h4,6-7,9-10,24-26,30-32,36,47-48H,1,5,8,11-23H2,2-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/b7-6-,10-9-/t26-,30-,31-,32+,36-/m1/s1
InChIKeyJDKLSTJMXDRYAJ-PCRJDALTSA-J
ChEBI Ontology
Outgoing Relation(s)
(9Z,12Z)-hexadeca-9,12,15-trienoyl-CoA(4−) (CHEBI:85914) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
(9Z,12Z)-hexadeca-9,12,15-trienoyl-CoA(4−) (CHEBI:85914) is a polyunsaturated fatty acyl-CoA(4−) (CHEBI:77330)
(9Z,12Z)-hexadeca-9,12,15-trienoyl-CoA(4−) (CHEBI:85914) is conjugate base of (9Z,12Z)-hexadeca-9,12,15-trienoyl-CoA (CHEBI:86132)
Incoming Relation(s)
(9Z,12Z)-hexadeca-9,12,15-trienoyl-CoA (CHEBI:86132) is conjugate acid of (9Z,12Z)-hexadeca-9,12,15-trienoyl-CoA(4−) (CHEBI:85914)
Synonyms  Source
(9Z,12Z,15)-hexadecatrienoyl-coenzyme AChEBI
(9Z,12Z)-hexadeca-9,12,15-trienoyl-coenzyme A(4−)ChEBI
(9Z,12Z,15)-hexadecatrienoyl-CoAChEBI
UniProt Name  Source
(9Z,12Z,15Z)-hexadecatrienoyl-CoAUniProt
Manual XrefsDatabases
CPD-10255MetaCyc
Citations