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CHEBI:85029 - tridecanoyl-CoA

ChEBI IDCHEBI:85029
ChEBI Nametridecanoyl-CoA
Stars
DefinitionA long-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of tridecanoic acid.
Last Modified7 June 2024
SubmitterSteve
DownloadsMolfile
FormulaC34H60N7O17P3S
Net Charge0
Average Mass963.875
Monoisotopic Mass963.29792
SMILESCCCCCCCCCCCCC(=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/c1-4-5-6-7-8-9-10-11-12-13-14-25(43)62-18-17-36-24(42)15-16-37-32(46)29(45)34(2,3)20-55-61(52,53)58-60(50,51)54-19-23-28(57-59(47,48)49)27(44)33(56-23)41-22-40-26-30(35)38-21-39-31(26)41/h21-23,27-29,33,44-45H,4-20H2,1-3H3,(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
InChIKeyTZKUYUHMJHEXOQ-QYIUPXBKSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
tridecanoyl-CoA (CHEBI:85029) has functional parent tridecanoic acid (CHEBI:45919)
tridecanoyl-CoA (CHEBI:85029) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348)
tridecanoyl-CoA (CHEBI:85029) is a long-chain fatty acyl-CoA (CHEBI:33184)
tridecanoyl-CoA (CHEBI:85029) is a saturated fatty acyl-CoA (CHEBI:231546)
tridecanoyl-CoA (CHEBI:85029) is conjugate acid of tridecanoyl-CoA(4−) (CHEBI:84061)
Incoming Relation(s)
tridecanoyl-CoA(4−) (CHEBI:84061) is conjugate base of tridecanoyl-CoA (CHEBI:85029)
IUPAC Name 
3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(tridecanoylsulfanyl)ethyl]amino}propyl)amino]butyl} dihydrogen diphosphate)
Synonym  Source
tridecanoyl-coenzyme AChEBI
Manual XrefsDatabases
HMDB0013109HMDB
Registry NumbersSources
Reaxys:23144243Reaxys