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CHEBI:169014 - 2-methyl-dodecanedioic acid

Default Structure
ChEBI IDCHEBI:169014
ChEBI Name2-methyl-dodecanedioic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H24O4
Net Charge0
Average Mass244.331
Monoisotopic Mass244.16746
SMILESCC(CCCCCCCCCC(=O)O)C(=O)O
InChIInChI=1S/C13H24O4/c1-11(13(16)17)9-7-5-3-2-4-6-8-10-12(14)15/h11H,2-10H2,1H3,(H,14,15)(H,16,17)
InChIKeyWQASHJMJHNWVAP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-methyl-dodecanedioic acid (CHEBI:169014) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
2-methyldodecanedioic acid
Manual XrefsDatabases
7822604ChemSpider
LMFA01170010LIPID MAPS