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CHEBI:70848 - isopentadecanoyl-CoA

ChEBI IDCHEBI:70848
ChEBI Nameisopentadecanoyl-CoA
Stars
DefinitionA methyl-branched fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of isopentadecanoic acid.
Last Modified7 June 2024
SubmitterSteve
DownloadsMolfile
FormulaC36H64N7O17P3S
Net Charge0
Average Mass991.929
Monoisotopic Mass991.32922
SMILESCC(C)CCCCCCCCCCCC(=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/C36H64N7O17P3S/c1-24(2)14-12-10-8-6-5-7-9-11-13-15-27(45)64-19-18-38-26(44)16-17-39-34(48)31(47)36(3,4)21-57-63(54,55)60-62(52,53)56-20-25-30(59-61(49,50)51)29(46)35(58-25)43-23-42-28-32(37)40-22-41-33(28)43/h22-25,29-31,35,46-47H,5-21H2,1-4H3,(H,38,44)(H,39,48)(H,52,53)(H,54,55)(H2,37,40,41)(H2,49,50,51)/t25-,29-,30-,31+,35-/m1/s1
InChIKeyTZHWAJXXUMOTBV-VTINEICCSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
isopentadecanoyl-CoA (CHEBI:70848) has functional parent isopentadecanoic acid (CHEBI:39250)
isopentadecanoyl-CoA (CHEBI:70848) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348)
isopentadecanoyl-CoA (CHEBI:70848) is a long-chain fatty acyl-CoA (CHEBI:33184)
isopentadecanoyl-CoA (CHEBI:70848) is a methyl-branched fatty acyl-CoA (CHEBI:25271)
isopentadecanoyl-CoA (CHEBI:70848) is a saturated fatty acyl-CoA (CHEBI:231546)
isopentadecanoyl-CoA (CHEBI:70848) is conjugate acid of isopentadecanoyl-CoA(4−) (CHEBI:70827)
Incoming Relation(s)
isopentadecanoyl-CoA(4−) (CHEBI:70827) is conjugate base of isopentadecanoyl-CoA (CHEBI:70848)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(13-methyltetradecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
13-methyltetradecanoyl-CoAChEBI
13-methylmyristoyl-CoAChEBI