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CHEBI:210033 - (11S,12S,13R)-11,13-dihydroxy-12-methyltetradecanoic acid

ChEBI IDCHEBI:210033
ChEBI Name(11S,12S,13R)-11,13-dihydroxy-12-methyltetradecanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H30O4
Net Charge0
Average Mass274.401
Monoisotopic Mass274.21441
SMILESC[C@@H]([C@@H](C)O)[C@@H](O)CCCCCCCCCC(=O)O
InChIInChI=1S/C15H30O4/c1-12(13(2)16)14(17)10-8-6-4-3-5-7-9-11-15(18)19/h12-14,16-17H,3-11H2,1-2H3,(H,18,19)/t12-,13+,14-/m0/s1
InChIKeyXXMLDCKQXFBRNU-MJBXVCDLSA-N
Species of MetaboliteComponentSourceComments
Massarinaspecies (ncbitaxon:1756096) - DOI (10.1007/sl0600-015-1305-9)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(11S,12S,13R)-11,13-dihydroxy-12-methyltetradecanoic acid (CHEBI:210033) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(11S,12S,13R)-11,13-dihydroxy-12-methyltetradecanoic acid
Manual XrefsDatabases
67173006ChemSpider