CHEBI:27868 - 3-oxolauroyl-CoA

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-oxolauroyl-CoA
ChEBI ID CHEBI:27868
Definition An oxo-fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxylic acid group of 3-oxolauroic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1636, CHEBI:20169
Supplier Information ZINC000030724793
Download Molfile XML SDF
Formula C33H56N7O18P3S
Net Charge 0
Average Mass 963.82140
Monoisotopic Mass 963.26154
InChI InChI=1S/C33H56N7O18P3S/c1-4-5-6-7-8-9-10-11-21(41)16-24(43)62-15-14-35-23(42)12-13-36-31(46)28(45)33(2,3)18-55-61(52,53)58-60(50,51)54-17-22-27(57-59(47,48)49)26(44)32(56-22)40-20-39-25-29(34)37-19-38-30(25)40/h19-20,22,26-28,32,44-45H,4-18H2,1-3H3,(H,35,42)(H,36,46)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/t22-,26-,27-,28+,32-/m1/s1
InChIKey HQANBZHVWIDNQZ-GMHMEAMDSA-N
SMILES CCCCCCCCCC(=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
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Saccharomyces cerevisiae (NCBI:txid4932) Source: yeast.sf.net See: PubMed
Escherichia coli (NCBI:txid562) 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): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
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).
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-oxolauroyl-CoA (CHEBI:27868) has functional parent 3-oxolauric acid (CHEBI:18037)
3-oxolauroyl-CoA (CHEBI:27868) has functional parent lauroyl-CoA (CHEBI:15521)
3-oxolauroyl-CoA (CHEBI:27868) has role Escherichia coli metabolite (CHEBI:76971)
3-oxolauroyl-CoA (CHEBI:27868) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
3-oxolauroyl-CoA (CHEBI:27868) has role human metabolite (CHEBI:77746)
3-oxolauroyl-CoA (CHEBI:27868) has role mouse metabolite (CHEBI:75771)
3-oxolauroyl-CoA (CHEBI:27868) is a 3-oxo-fatty acyl-CoA (CHEBI:15489)
3-oxolauroyl-CoA (CHEBI:27868) is conjugate acid of 3-oxolauroyl-CoA(4−) (CHEBI:62615)
Incoming 3-oxolauroyl-CoA(4−) (CHEBI:62615) is conjugate base of 3-oxolauroyl-CoA (CHEBI:27868)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxododecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}
Synonyms Sources
3-ketododecanoyl-CoA ChEBI
3-ketododecanoyl-coenzyme A ChEBI
3-ketolauroyl-CoA ChEBI
3-ketolauroyl-coenzyme A ChEBI
3-Oxododecanoyl-CoA KEGG COMPOUND
3-oxododecanoyl-coenzyme A ChEBI
3-oxolauroyl-coenzyme A ChEBI
Manual Xrefs Databases
C05263 KEGG COMPOUND
HMDB0003937 HMDB
View more database links
Last Modified
27 January 2016
General Comment
2011-04-26 A human metabolite involved in the fatty acid elongation in the mitochondrial pathway, its formation from acetyl-CoA is catalysed by the enzyme acetyl-CoA C-acyltransferase.