CHEBI:86317 - 2-methyl-3-oxopalmitoyl-CoA

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ChEBI Name 2-methyl-3-oxopalmitoyl-CoA
ChEBI ID CHEBI:86317
Definition A 3-oxo-fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-methyl-3-oxopalmitic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C38H66N7O18P3S
Net Charge 0
Average Mass 1033.95300
Monoisotopic Mass 1033.33979
InChI InChI=1S/C38H66N7O18P3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-26(46)25(2)37(51)67-20-19-40-28(47)17-18-41-35(50)32(49)38(3,4)22-60-66(57,58)63-65(55,56)59-21-27-31(62-64(52,53)54)30(48)36(61-27)45-24-44-29-33(39)42-23-43-34(29)45/h23-25,27,30-32,36,48-49H,5-22H2,1-4H3,(H,40,47)(H,41,50)(H,55,56)(H,57,58)(H2,39,42,43)(H2,52,53,54)/t25?,27-,30-,31-,32+,36-/m1/s1
InChIKey WUWKXNAGPVGNAF-PDKNGGRYSA-N
SMILES CCCCCCCCCCCCCC(=O)C(C)C(=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 2-methyl-3-oxopalmitoyl-CoA (CHEBI:86317) is a 3-oxo-fatty acyl-CoA (CHEBI:15489)
2-methyl-3-oxopalmitoyl-CoA (CHEBI:86317) is a long-chain fatty acyl-CoA (CHEBI:33184)
2-methyl-3-oxopalmitoyl-CoA (CHEBI:86317) is a methyl-branched fatty acyl-CoA (CHEBI:25271)
2-methyl-3-oxopalmitoyl-CoA (CHEBI:86317) is conjugate acid of 2-methyl-3-oxopalmitoyl-CoA(4−) (CHEBI:86042)
Incoming 2-methyl-3-oxopalmitoyl-CoA(4−) (CHEBI:86042) is conjugate base of 2-methyl-3-oxopalmitoyl-CoA (CHEBI:86317)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-methyl-3-oxohexadecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
2-methyl-3-oxohexadecanoyl-CoA ChEBI
2-methyl-3-oxohexadecanoyl-coenzyme A ChEBI
2-methyl-3-oxopalmitoyl-coenzyme A ChEBI
3-keto-2-methylhexadecanoyl-CoA ChEBI
3-keto-2-methylhexadecanoyl-coenzyme A ChEBI
3-keto-2-methylpalmitoyl-CoA ChEBI
3-keto-2-methylpalmitoyl-coenzyme A ChEBI
Last Modified
03 July 2015