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CHEBI:74116 - 2-hydroxystearoyl-CoA(4−)

ChEBI IDCHEBI:74116
ChEBI Name2-hydroxystearoyl-CoA(4−)
Stars
ASCII Name2-hydroxystearoyl-CoA(4-)
DefinitionAn acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of 2-hydroxystearoyl-CoA.
Last Modified28 October 2014
Submitterlaimo
DownloadsMolfile
FormulaC39H66N7O18P3S
Net Charge-4
Average Mass1045.977
Monoisotopic Mass1045.34198
SMILESCCCCCCCCCCCCCCCCC(O)C(=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/C39H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(47)38(52)68-22-21-41-29(48)19-20-42-36(51)33(50)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-32(63-65(53,54)55)31(49)37(62-28)46-26-45-30-34(40)43-25-44-35(30)46/h25-28,31-33,37,47,49-50H,4-24H2,1-3H3,(H,41,48)(H,42,51)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/p-4/t27?,28-,31-,32-,33+,37-/m1/s1
InChIKeyOJQMIXCIJFLULT-WRPLWBMRSA-J
ChEBI Ontology
Outgoing Relation(s)
2-hydroxystearoyl-CoA(4−) (CHEBI:74116) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
2-hydroxystearoyl-CoA(4−) (CHEBI:74116) is conjugate base of 2-hydroxystearoyl-CoA (CHEBI:74138)
Incoming Relation(s)
(2R)-2-hydroxyoctadecanoyl-CoA(4−) (CHEBI:171666) is a 2-hydroxystearoyl-CoA(4−) (CHEBI:74116)
2-hydroxystearoyl-CoA (CHEBI:74138) is conjugate acid of 2-hydroxystearoyl-CoA(4−) (CHEBI:74116)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxyoctadecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms  Source
2-hydroxystearoyl-coenzyme A(4−)SUBMITTER
2-OH-stearoyl-CoA(4−)SUBMITTER
2-hydroxyoctadecanoyl-CoA(4−)SUBMITTER
2-hydroxy-C18:0-CoA(4−)SUBMITTER
2-OH-C18:0-CoA(4−)SUBMITTER
2-hydroxyoctadecanoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
2-hydroxyoctadecanoyl-CoAUniProt