CHEBI:85029 - tridecanoyl-CoA

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ChEBI Name tridecanoyl-CoA
ChEBI ID CHEBI:85029
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C34H60N7O17P3S
Net Charge 0
Average Mass 963.86300
Monoisotopic Mass 963.29793
InChI InChI=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
InChIKey TZKUYUHMJHEXOQ-QYIUPXBKSA-N
SMILES CCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 conjugate acid of tridecanoyl-CoA(4−) (CHEBI:84061)
Incoming 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 A ChEBI
Manual Xref Database
HMDB0013109 HMDB
View more database links
Registry Number Type Source
23144243 Reaxys Registry Number Reaxys
Last Modified
31 March 2015