EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:200023 - W-Cycloheptyltridecanoic acid

ChEBI IDCHEBI:200023
ChEBI NameW-Cycloheptyltridecanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H38O2
Net Charge0
Average Mass310.522
Monoisotopic Mass310.28718
SMILESO=C(O)CCCCCCCCCCCCC1CCCCCC1
InChIInChI=1S/C20H38O2/c21-20(22)18-14-8-6-4-2-1-3-5-7-11-15-19-16-12-9-10-13-17-19/h19H,1-18H2,(H,21,22)
InChIKeyAROTXGMGHUCMKW-UHFFFAOYSA-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-Cycloheptyltridecanoic acid (CHEBI:200023) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
13-cycloheptyltridecanoic acid
Manual XrefsDatabases
11553562ChemSpider