CHEBI:52328 - 3-oxodocosanoyl-CoA

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ChEBI Name 3-oxodocosanoyl-CoA
ChEBI ID CHEBI:52328
Definition A 3-oxo-fatty acyl-CoA obtained from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-oxodocosanoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter kieran
Supplier Information
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Formula C43H76N7O18P3S
Net Charge 0
Average Mass 1104.08600
Monoisotopic Mass 1103.41804
InChI InChI=1S/C43H76N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h29-30,32,36-38,42,54-55H,4-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/t32-,36-,37-,38+,42-/m1/s1
InChIKey RKCOGGUHKPTOQJ-GNSUAQHMSA-N
SMILES CCCCCCCCCCCCCCCCCCCC(=O)CC(=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
Metabolite of Species Details
Saccharomyces cerevisiae (NCBI:txid4932) Source: yeast.sf.net See: PubMed
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
Biological Role(s): Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-oxodocosanoyl-CoA (CHEBI:52328) has functional parent 3-oxodocosanoic acid (CHEBI:52351)
3-oxodocosanoyl-CoA (CHEBI:52328) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
3-oxodocosanoyl-CoA (CHEBI:52328) has role human metabolite (CHEBI:77746)
3-oxodocosanoyl-CoA (CHEBI:52328) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348)
3-oxodocosanoyl-CoA (CHEBI:52328) is a long-chain 3-oxo-fatty acyl-CoA (CHEBI:137599)
3-oxodocosanoyl-CoA (CHEBI:52328) is conjugate acid of 3-oxodocosanoyl-CoA(4−) (CHEBI:71451)
Incoming 3-oxodocosanoyl-CoA(4−) (CHEBI:71451) is conjugate base of 3-oxodocosanoyl-CoA (CHEBI:52328)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-({2-[(3-oxodocosanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}butyl] dihydrogen diphosphate}
Synonyms Sources
3-keto-C22-CoA ChEBI
3-ketobehenoyl-CoA ChEBI
3-ketodocosanoyl-CoA ChEBI
3-ketodocosanoyl-coenzyme A ChEBI
3-oxobehenoyl-CoA ChEBI
3-oxobehenoyl-coenzyme A ChEBI
3-oxodocosanoyl-coenzyme A ChEBI
Last Modified
04 July 2017