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CHEBI:18037 - 3-oxolauric acid

ChEBI IDCHEBI:18037
ChEBI Name3-oxolauric acid
Stars
Secondary ChEBI IDsCHEBI:1635, CHEBI:20168
Last Modified6 February 2017
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FormulaC12H22O3
Net Charge0
Average Mass214.305
Monoisotopic Mass214.15689
SMILESCCCCCCCCCC(=O)CC(=O)O
InChIInChI=1S/C12H22O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h2-10H2,1H3,(H,14,15)
InChIKeyDZHSPYMHDVROSM-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3-oxolauric acid (CHEBI:18037) has functional parent dodecanoic acid (CHEBI:30805)
3-oxolauric acid (CHEBI:18037) is a 3-oxo fatty acid (CHEBI:134416)
3-oxolauric acid (CHEBI:18037) is conjugate acid of 3-oxododecanoate (CHEBI:29743)
Incoming Relation(s)
3-oxo-N-[(3S)-2-oxopyrrolidin-3-yl]dodecanamide (CHEBI:44612) has functional parent 3-oxolauric acid (CHEBI:18037)
3-oxolauroyl-CoA (CHEBI:27868) has functional parent 3-oxolauric acid (CHEBI:18037)
3-oxododecanoate (CHEBI:29743) is conjugate base of 3-oxolauric acid (CHEBI:18037)
IUPAC Name 
3-oxododecanoic acid
Synonyms  Source
3-OxododecanoateKEGG COMPOUND
3-oxododecanoic acidChEBI
3-Oxododecanoic acidKEGG COMPOUND
Manual XrefsDatabases
3LAPDBeChem
C02367KEGG COMPOUND
LMFA01060091LIPID MAPS