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CHEBI:221320 - W-Cycloheptyl-a-hydroxytridecanoic acid

ChEBI IDCHEBI:221320
ChEBI NameW-Cycloheptyl-a-hydroxytridecanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H38O3
Net Charge0
Average Mass326.521
Monoisotopic Mass326.28210
SMILESO=C(O)[C@@H](O)CCCCCCCCCCCC1CCCCCC1
InChIInChI=1S/C20H38O3/c21-19(20(22)23)17-13-7-5-3-1-2-4-6-10-14-18-15-11-8-9-12-16-18/h18-19,21H,1-17H2,(H,22,23)/t19-/m0/s1
InChIKeyQMSDXTYLUVLIRZ-IBGZPJMESA-N
Species of MetaboliteComponentSourceComments
Alicyclobacillus cycloheptanicus (ncbitaxon:1457) - DOI (10.1021/np50118a019)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
W-Cycloheptyl-a-hydroxytridecanoic acid (CHEBI:221320) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
13-cycloheptyl-2-hydroxytridecanoic acid
Manual XrefsDatabases
78435031ChemSpider