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CHEBI:72003 - 3-hydroxyisoheptadecanoyl-CoA

ChEBI IDCHEBI:72003
ChEBI Name3-hydroxyisoheptadecanoyl-CoA
Stars
DefinitionA methyl-branched fatty acyl-CoA obtained from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-hydroxyisoheptadecanoic acid
Last Modified31 March 2015
SubmitterSteve
DownloadsMolfile
FormulaC38H68N7O18P3S
Net Charge0
Average Mass1035.982
Monoisotopic Mass1035.35544
SMILESCC(C)CCCCCCCCCCCC(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/C38H68N7O18P3S/c1-25(2)14-12-10-8-6-5-7-9-11-13-15-26(46)20-29(48)67-19-18-40-28(47)16-17-41-36(51)33(50)38(3,4)22-60-66(57,58)63-65(55,56)59-21-27-32(62-64(52,53)54)31(49)37(61-27)45-24-44-30-34(39)42-23-43-35(30)45/h23-27,31-33,37,46,49-50H,5-22H2,1-4H3,(H,40,47)(H,41,51)(H,55,56)(H,57,58)(H2,39,42,43)(H2,52,53,54)/t26?,27-,31-,32-,33+,37-/m1/s1
InChIKeyUXWUSXRGWGOULX-JKWRZQDASA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
3-hydroxyisoheptadecanoyl-CoA (CHEBI:72003) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348)
3-hydroxyisoheptadecanoyl-CoA (CHEBI:72003) is a 3-hydroxy fatty acyl-CoA (CHEBI:20060)
3-hydroxyisoheptadecanoyl-CoA (CHEBI:72003) is a long-chain fatty acyl-CoA (CHEBI:33184)
3-hydroxyisoheptadecanoyl-CoA (CHEBI:72003) is a methyl-branched fatty acyl-CoA (CHEBI:25271)
3-hydroxyisoheptadecanoyl-CoA (CHEBI:72003) is conjugate acid of 3-hydroxyisoheptadecanoyl-CoA(4−) (CHEBI:71446)
Incoming Relation(s)
3-hydroxyisoheptadecanoyl-CoA(4−) (CHEBI:71446) is conjugate base of 3-hydroxyisoheptadecanoyl-CoA (CHEBI:72003)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxy-15-methylhexadecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
3-hydroxy-15-methylhexadecanoyl-CoAChEBI
3-hydroxy-15-methylhexadecanoyl-coenzyme AChEBI
3-hydroxy-15-methylpalmitoyl-CoAChEBI
3-hydroxy-15-methylpalmitoyl-coenzyme AChEBI
3-hydroxyisoheptadecanoyl-coenzyme AChEBI