EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:180117 - 4S-methyl-dodecanoic acid

ChEBI IDCHEBI:180117
ChEBI Name4S-methyl-dodecanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H26O2
Net Charge0
Average Mass214.349
Monoisotopic Mass214.19328
SMILESCCCCCCCC[C@@H](C)CCC(=O)O
InChIInChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-12(2)10-11-13(14)15/h12H,3-11H2,1-2H3,(H,14,15)/t12-/m1/s1
InChIKeySTDXFMGAJMQOFF-GFCCVEGCSA-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)
4S-methyl-dodecanoic acid (CHEBI:180117) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
(4R)-4-methyldodecanoic acid
Manual XrefsDatabases
LMFA01020157LIPID MAPS
4445814ChemSpider