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CHEBI:74138 - 2-hydroxystearoyl-CoA

ChEBI IDCHEBI:74138
ChEBI Name2-hydroxystearoyl-CoA
Stars
DefinitionA hydroxy fatty-acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-hydroxystearic acid.
Last Modified31 March 2015
SubmitterSteve
DownloadsMolfile
FormulaC39H70N7O18P3S
Net Charge0
Average Mass1050.009
Monoisotopic Mass1049.37109
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)/t27?,28-,31-,32-,33+,37-/m1/s1
InChIKeyOJQMIXCIJFLULT-WRPLWBMRSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
2-hydroxystearoyl-CoA (CHEBI:74138) has functional parent 2-hydroxyoctadecanoic acid (CHEBI:19660)
2-hydroxystearoyl-CoA (CHEBI:74138) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348)
2-hydroxystearoyl-CoA (CHEBI:74138) is a hydroxy fatty acyl-CoA (CHEBI:61902)
2-hydroxystearoyl-CoA (CHEBI:74138) is a long-chain fatty acyl-CoA (CHEBI:33184)
2-hydroxystearoyl-CoA (CHEBI:74138) is conjugate acid of 2-hydroxystearoyl-CoA(4−) (CHEBI:74116)
Incoming Relation(s)
2-hydroxystearoyl-CoA(4−) (CHEBI:74116) is conjugate base of 2-hydroxystearoyl-CoA (CHEBI:74138)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxyoctadecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
2-hydroxystearoyl-coenzyme AChEBI
2-hydroxy-C18:0-CoAChEBI
2-hydroxyoctadecanoyl-CoAChEBI
2-hydroxyoctadecanoyl-coenzyme AChEBI
Registry NumbersSources
CAS:38861-93-7ChemIDplus