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CHEBI:87718 - (3S,7Z)-3-hydroxyhexadecenoyl-CoA(4−)

ChEBI IDCHEBI:87718
ChEBI Name(3S,7Z)-3-hydroxyhexadecenoyl-CoA(4−)
Stars
ASCII Name(3S,7Z)-3-hydroxyhexadecenoyl-CoA(4-)
DefinitionA 3-hydroxy fatty acyl CoA(4−) obtained by deprotonation of phosphate and diphosphate OH groups of (3S,7Z)-3-hydroxyhexadecenoyl-CoA; major species at pH 7.3.
Last Modified28 July 2021
Submitterlaimo
DownloadsMolfile
FormulaC37H60N7O18P3S
Net Charge-4
Average Mass1015.907
Monoisotopic Mass1015.29503
SMILESCCCCCCCC/C=C\CCC[C@H](O)CC(=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/C37H64N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(45)20-28(47)66-19-18-39-27(46)16-17-40-35(50)32(49)37(2,3)22-59-65(56,57)62-64(54,55)58-21-26-31(61-63(51,52)53)30(48)36(60-26)44-24-43-29-33(38)41-23-42-34(29)44/h11-12,23-26,30-32,36,45,48-49H,4-10,13-22H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/p-4/b12-11-/t25-,26+,30+,31+,32-,36+/m0/s1
InChIKeyKZLHPKRIEDLQGG-SQUPIXLDSA-J
ChEBI Ontology
Outgoing Relation(s)
(3S,7Z)-3-hydroxyhexadecenoyl-CoA(4−) (CHEBI:87718) is a hexadecenoyl-CoA(4−) (CHEBI:139572)
(3S,7Z)-3-hydroxyhexadecenoyl-CoA(4−) (CHEBI:87718) is a long-chain (3S)-hydroxy fatty acyl-CoA(4−) (CHEBI:136757)
(3S,7Z)-3-hydroxyhexadecenoyl-CoA(4−) (CHEBI:87718) is a monounsaturated fatty acyl-CoA(4−) (CHEBI:77331)
(3S,7Z)-3-hydroxyhexadecenoyl-CoA(4−) (CHEBI:87718) is conjugate base of (3S,7Z)-3-hydroxyhexadecenoyl-CoA (CHEBI:88087)
Incoming Relation(s)
(3S,7Z)-3-hydroxyhexadecenoyl-CoA (CHEBI:88087) is conjugate acid of (3S,7Z)-3-hydroxyhexadecenoyl-CoA(4−) (CHEBI:87718)
Synonym  Source
(3S,7Z)-3-hydroxyhexadecenoyl-coenzyme A(4−)SUBMITTER
UniProt Name  Source
(3S)-hydroxy-(7Z-hexadecenoyl)-CoAUniProt