CHEBI:74574 - pentadecanoyl-CoA

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ChEBI Name pentadecanoyl-CoA
ChEBI ID CHEBI:74574
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 pentadecanoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C36H64N7O17P3S
Net Charge 0
Average Mass 991.91600
Monoisotopic Mass 991.32923
InChI InChI=1S/C36H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-27(45)64-20-19-38-26(44)17-18-39-34(48)31(47)36(2,3)22-57-63(54,55)60-62(52,53)56-21-25-30(59-61(49,50)51)29(46)35(58-25)43-24-42-28-32(37)40-23-41-33(28)43/h23-25,29-31,35,46-47H,4-22H2,1-3H3,(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
InChIKey VLBCUOVMSMAIJC-VTINEICCSA-N
SMILES CCCCCCCCCCCCCCC(=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 pentadecanoyl-CoA (CHEBI:74574) has functional parent pentadecanoic acid (CHEBI:42504)
pentadecanoyl-CoA (CHEBI:74574) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348)
pentadecanoyl-CoA (CHEBI:74574) is a long-chain fatty acyl-CoA (CHEBI:33184)
pentadecanoyl-CoA (CHEBI:74574) is conjugate acid of pentadecanoyl-CoA(4−) (CHEBI:74309)
Incoming pentadecanoyl-CoA(4−) (CHEBI:74309) is conjugate base of pentadecanoyl-CoA (CHEBI:74574)
IUPAC Name
3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(pentadecanoylsulfanyl)ethyl]amino}propyl)amino]butyl} dihydrogen diphosphate)
Synonym Source
pentadecanoyl-coenzyme A ChEBI
Manual Xref Database
CPD-14724 MetaCyc
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Last Modified
31 March 2015