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CHEBI:71443 - 3-hydroxyisopentadecanoyl-CoA

ChEBI IDCHEBI:71443
ChEBI Name3-hydroxyisopentadecanoyl-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-hydroxyisopentadecanoic acid.
Last Modified31 March 2015
SubmitterSteve
DownloadsMolfile
FormulaC36H64N7O18P3S
Net Charge0
Average Mass1007.928
Monoisotopic Mass1007.32414
SMILESCC(C)CCCCCCCCCC(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/C36H64N7O18P3S/c1-23(2)12-10-8-6-5-7-9-11-13-24(44)18-27(46)65-17-16-38-26(45)14-15-39-34(49)31(48)36(3,4)20-58-64(55,56)61-63(53,54)57-19-25-30(60-62(50,51)52)29(47)35(59-25)43-22-42-28-32(37)40-21-41-33(28)43/h21-25,29-31,35,44,47-48H,5-20H2,1-4H3,(H,38,45)(H,39,49)(H,53,54)(H,55,56)(H2,37,40,41)(H2,50,51,52)/t24?,25-,29-,30-,31+,35-/m1/s1
InChIKeyLWXQJJYOZWNPDR-ZJHONPRDSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
3-hydroxyisopentadecanoyl-CoA (CHEBI:71443) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348)
3-hydroxyisopentadecanoyl-CoA (CHEBI:71443) is a 3-hydroxy fatty acyl-CoA (CHEBI:20060)
3-hydroxyisopentadecanoyl-CoA (CHEBI:71443) is a long-chain fatty acyl-CoA (CHEBI:33184)
3-hydroxyisopentadecanoyl-CoA (CHEBI:71443) is a methyl-branched fatty acyl-CoA (CHEBI:25271)
3-hydroxyisopentadecanoyl-CoA (CHEBI:71443) is conjugate acid of 3-hydroxyisopentadecanoyl-CoA(4−) (CHEBI:71435)
Incoming Relation(s)
3-hydroxyisopentadecanoyl-CoA(4−) (CHEBI:71435) is conjugate base of 3-hydroxyisopentadecanoyl-CoA (CHEBI:71443)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxy-13-methyltetradecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
3-hydroxyisopentadecanoyl-coenzyme AChEBI
3-hydroxy-13-methylmyristoyl-CoAChEBI
3-hydroxy-13-methylmyristoyl-coenzyme AChEBI
3-hydroxy-13-methyltetradecanoyl-coenzyme AChEBI
3-hydroxy-13-methyltetradecanoyl-CoAChEBI