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

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ChEBI Name (3S,7Z)-3-hydroxyhexadecenoyl-CoA(4−)
ChEBI ID CHEBI:87718
ChEBI ASCII Name (3S,7Z)-3-hydroxyhexadecenoyl-CoA(4-)
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
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Formula C37H60N7O18P3S
Net Charge -4
Average Mass 1015.897
Monoisotopic Mass 1015.29503
InChI InChI=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
InChIKey KZLHPKRIEDLQGG-SQUPIXLDSA-J
SMILES [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSC(=O)C[C@H](CCC/C=C\CCCCCCCC)O)=O)=O)O)(C)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O
ChEBI Ontology
Outgoing (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 (3S,7Z)-3-hydroxyhexadecenoyl-CoA (CHEBI:88087) is conjugate acid of (3S,7Z)-3-hydroxyhexadecenoyl-CoA(4−) (CHEBI:87718)
Synonyms Sources
(3S)-hydroxy-(7Z-hexadecenoyl)-CoA UniProt
(3S,7Z)-3-hydroxyhexadecenoyl-coenzyme A(4−) SUBMITTER
Last Modified
28 July 2021