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CHEBI:233779 - (3R,6Z,9Z,12Z)-3-hydroxyoctadecatrienoyl-CoA(4−)

Default Structure
ChEBI IDCHEBI:233779
ChEBI Name(3R,6Z,9Z,12Z)-3-hydroxyoctadecatrienoyl-CoA(4−)
Stars
ASCII Name(3R,6Z,9Z,12Z)-3-hydroxyoctadecatrienoyl-CoA(4-)
Submitterlaimo
DownloadsMolfile
FormulaC39H60N7O18P3S
Net Charge-4
Average Mass1039.929
Monoisotopic Mass1039.29503
SMILESCCCCC/C=C\C/C=C\C/C=C\CC[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/C39H64N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(47)22-30(49)68-21-20-41-29(48)18-19-42-37(52)34(51)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-33(63-65(53,54)55)32(50)38(62-28)46-26-45-31-35(40)43-25-44-36(31)46/h8-9,11-12,14-15,25-28,32-34,38,47,50-51H,4-7,10,13,16-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/p-4/b9-8-,12-11-,15-14-/t27-,28-,32-,33-,34+,38-/m1/s1
InChIKeyJCYIHBAQURWSOM-NPOLLXNBSA-J
ChEBI Ontology
Outgoing Relation(s)
(3R,6Z,9Z,12Z)-3-hydroxyoctadecatrienoyl-CoA(4−) (CHEBI:233779) is a long-chain (R)-3-hydroxyacyl-CoA(4−) (CHEBI:229602)
Synonym  Source
CoA 3R-OH-18:3(6Z,9Z,12Z)(4−)SUBMITTER
UniProt Name  Source
(3R)-hydroxy-(6Z,9Z,12Z)-octadecatrienoyl-CoAUniProt