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CHEBI:29019 - nonanoic acid

ChEBI IDCHEBI:29019
ChEBI Namenonanoic acid
Stars
DefinitionA C9 straight-chain saturated fatty acid which occurs naturally as esters of the oil of pelargonium. Has antifungal properties, and is also used as a herbicide as well as in the preparation of plasticisers and lacquers.
Secondary ChEBI IDsCHEBI:7616, CHEBI:25861
Last Modified10 March 2020
DownloadsMolfile

FormulaC9H18O2
Net Charge0
Average Mass158.241
Monoisotopic Mass158.13068
SMILESCCCCCCCCC(=O)O
InChIInChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)
InChIKeyFBUKVWPVBMHYJY-UHFFFAOYSA-N

Wikipedia
Species of MetaboliteComponentSourceComments
Tilia cordata (ncbitaxon:172266) bark (BTO:0001301) PubMed (16124228)
Daphnia magna (ncbitaxon:35525) - Article (Mixtures of similarly acting compounds in Daphnia magna: From gene to metabolite and beyondTine Vandenbrouck, Oliver A.H. Jones, Nathalie Dom, Julian L. Griffin, Wim De CoenEnvironment International 36 (2010) 254-268)
Chlamydomonas reinhardtii (ncbitaxon:3055) - PubMed (25515814)
Roles Classification

ChEBI Ontology
IUPAC Name 
nonanoic acid
Synonyms  Source
Nonanoic acidKEGG COMPOUND
Pelargonic acidKEGG COMPOUND
nonoic acidNIST Chemistry WebBook
n-nonanoic acidNIST Chemistry WebBook
nonylic acidNIST Chemistry WebBook
Pelargonsäure  deChEBI
Manual XrefsDatabases
C01601KEGG COMPOUND
LMFA01010009LIPID MAPS
CPD-8505MetaCyc
Nonanoic_acidWikipedia
C00030829KNApSAcK
1327BPDB
Registry NumbersSources
Gmelin:185341Gmelin
Reaxys:1752351Reaxys
CAS:112-05-0KEGG COMPOUND
CAS:112-05-0ChemIDplus
CAS:112-05-0NIST Chemistry WebBook
Citations