CHEBI:29743 - 3-oxododecanoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-oxododecanoate
ChEBI ID CHEBI:29743
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:11873, CHEBI:20167
Supplier Information
Download Molfile XML SDF
Formula C12H21O3
Net Charge -1
Average Mass 213.29334
Monoisotopic Mass 213.14962
InChI InChI=1S/C12H22O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h2-10H2,1H3,(H,14,15)/p-1
InChIKey DZHSPYMHDVROSM-UHFFFAOYSA-M
SMILES CCCCCCCCCC(=O)CC([O-])=O
ChEBI Ontology
Outgoing 3-oxododecanoate (CHEBI:29743) has functional parent dodecanoate (CHEBI:18262)
3-oxododecanoate (CHEBI:29743) is a 3-oxo fatty acid anion (CHEBI:133292)
3-oxododecanoate (CHEBI:29743) is conjugate base of 3-oxolauric acid (CHEBI:18037)
Incoming 3-oxolauric acid (CHEBI:18037) is conjugate acid of 3-oxododecanoate (CHEBI:29743)
IUPAC Name
3-oxododecanoate
Synonyms Sources
3-Oxododecanoate KEGG COMPOUND
3-oxododecanoate UniProt
Manual Xref Database
C02367 KEGG COMPOUND
View more database links
Last Modified
06 February 2017