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CHEBI:71437 - isotridecanoyl-CoA

ChEBI IDCHEBI:71437
ChEBI Nameisotridecanoyl-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 isotridecanoic acid
Last Modified7 June 2024
SubmitterSteve
DownloadsMolfile
FormulaC34H60N7O17P3S
Net Charge0
Average Mass963.875
Monoisotopic Mass963.29792
SMILESCC(C)CCCCCCCCCC(=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/C34H60N7O17P3S/c1-22(2)12-10-8-6-5-7-9-11-13-25(43)62-17-16-36-24(42)14-15-37-32(46)29(45)34(3,4)19-55-61(52,53)58-60(50,51)54-18-23-28(57-59(47,48)49)27(44)33(56-23)41-21-40-26-30(35)38-20-39-31(26)41/h20-23,27-29,33,44-45H,5-19H2,1-4H3,(H,36,42)(H,37,46)(H,50,51)(H,52,53)(H2,35,38,39)(H2,47,48,49)/t23-,27-,28-,29+,33-/m1/s1
InChIKeySAZRNJMTRRCRJX-QYIUPXBKSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
isotridecanoyl-CoA (CHEBI:71437) is a medium-chain fatty acyl-CoA (CHEBI:61907)
isotridecanoyl-CoA (CHEBI:71437) is a methyl-branched fatty acyl-CoA (CHEBI:25271)
isotridecanoyl-CoA (CHEBI:71437) is a saturated fatty acyl-CoA (CHEBI:231546)
isotridecanoyl-CoA (CHEBI:71437) is conjugate acid of isotridecanoyl-CoA(4−) (CHEBI:71427)
Incoming Relation(s)
isotridecanoyl-CoA(4−) (CHEBI:71427) is conjugate base of isotridecanoyl-CoA (CHEBI:71437)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(11-methyldodecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
11-methyldodecanoyl-CoAChEBI
11-methyldodecanoyl-coenzyme AChEBI
isotridecanoyl-coenzyme AChEBI