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CHEBI:139559 - (9Z,12R)-12-hydroxyoctadec-9-enoyl-CoA(4−)

ChEBI IDCHEBI:139559
ChEBI Name(9Z,12R)-12-hydroxyoctadec-9-enoyl-CoA(4−)
Stars
ASCII Name(9Z,12R)-12-hydroxyoctadec-9-enoyl-CoA(4-)
DefinitionA monounsaturated fatty acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of (9Z,12R)-12-hydroxyoctadec-9-enoyl-CoA; major species at pH 7.3.
Last Modified8 April 2018
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC39H64N7O18P3S
Net Charge-4
Average Mass1043.961
Monoisotopic Mass1043.32633
SMILESCCCCCC[C@@H](O)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/C39H68N7O18P3S/c1-4-5-6-13-16-27(47)17-14-11-9-7-8-10-12-15-18-30(49)68-22-21-41-29(48)19-20-42-37(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/h11,14,25-28,32-34,38,47,50-51H,4-10,12-13,15-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/p-4/b14-11-/t27-,28-,32-,33-,34+,38-/m1/s1
InChIKeyBHVZCCKRRPYXCV-MGNVXPIMSA-J
ChEBI Ontology
Outgoing Relation(s)
(9Z,12R)-12-hydroxyoctadec-9-enoyl-CoA(4−) (CHEBI:139559) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
(9Z,12R)-12-hydroxyoctadec-9-enoyl-CoA(4−) (CHEBI:139559) is a monounsaturated fatty acyl-CoA(4−) (CHEBI:77331)
(9Z,12R)-12-hydroxyoctadec-9-enoyl-CoA(4−) (CHEBI:139559) is conjugate base of (9Z,12R)-12-hydroxyoctadec-9-enoyl-CoA (CHEBI:140153)
Incoming Relation(s)
(9Z,12R)-12-hydroxyoctadec-9-enoyl-CoA (CHEBI:140153) is conjugate acid of (9Z,12R)-12-hydroxyoctadec-9-enoyl-CoA(4−) (CHEBI:139559)
Synonym  Source
ricinoleoyl-CoA(4−)SUBMITTER
UniProt Name  Source
(12R)-hydroxy-(9Z)-octadecenoyl-CoAUniProt
Manual XrefsDatabases
CPD-15364MetaCyc
Citations