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CHEBI:71439 - 3-oxoisopentadecanoyl-CoA

ChEBI IDCHEBI:71439
ChEBI Name3-oxoisopentadecanoyl-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-oxoisopentadecanoic acid.
Last Modified4 July 2017
SubmitterSteve
DownloadsMolfile
FormulaC36H62N7O18P3S
Net Charge0
Average Mass1005.912
Monoisotopic Mass1005.30849
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/C36H62N7O18P3S/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/h21-23,25,29-31,35,47-48H,5-20H2,1-4H3,(H,38,45)(H,39,49)(H,53,54)(H,55,56)(H2,37,40,41)(H2,50,51,52)/t25-,29-,30-,31+,35-/m1/s1
InChIKeyMAMJAMHAMPVLFR-VTINEICCSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
3-oxoisopentadecanoyl-CoA (CHEBI:71439) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348)
3-oxoisopentadecanoyl-CoA (CHEBI:71439) is a long-chain 3-oxo-fatty acyl-CoA (CHEBI:137599)
3-oxoisopentadecanoyl-CoA (CHEBI:71439) is a methyl-branched fatty acyl-CoA (CHEBI:25271)
3-oxoisopentadecanoyl-CoA (CHEBI:71439) is conjugate acid of 3-oxoisopentadecanoyl-CoA(4−) (CHEBI:71430)
Incoming Relation(s)
3-oxoisopentadecanoyl-CoA(4−) (CHEBI:71430) is conjugate base of 3-oxoisopentadecanoyl-CoA (CHEBI:71439)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(13-methyl-3-oxotetradecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
13-methyl-3-oxotetradecanoyl-CoAChEBI
13-methyl-3-oxomyristoyl-CoAChEBI
13-methyl-3-oxotetradecanoyl-coenzyme AChEBI
3-oxoisopentadecanoyl-coenzyme AChEBI
13-methyl-3-oxo-myristoyl-coenzyme AChEBI