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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
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Daphnia magna metabolite  A Daphnia metabolite produced by the species Daphnia magna.
algal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in algae including unicellular organisms like chlorella and diatoms to multicellular organisms like giant kelps and brown algae.
Application:
antifeedant  A substance that prevents pests from feeding.
ChEBI Ontology
Outgoing Relation(s)
nonanoic acid (CHEBI:29019) has parent hydride nonane (CHEBI:32892)
nonanoic acid (CHEBI:29019) has role Daphnia magna metabolite (CHEBI:83056)
nonanoic acid (CHEBI:29019) has role algal metabolite (CHEBI:84735)
nonanoic acid (CHEBI:29019) has role antifeedant (CHEBI:22583)
nonanoic acid (CHEBI:29019) has role plant metabolite (CHEBI:76924)
nonanoic acid (CHEBI:29019) is a medium-chain fatty acid (CHEBI:59554)
nonanoic acid (CHEBI:29019) is a straight-chain saturated fatty acid (CHEBI:39418)
nonanoic acid (CHEBI:29019) is conjugate acid of nonanoate (CHEBI:32361)
Incoming Relation(s)
(R)-2-hydroxynonanoic acid (CHEBI:55538) has functional parent nonanoic acid (CHEBI:29019)
(8R)-8-hydroxynonanoic acid (CHEBI:78839) has functional parent nonanoic acid (CHEBI:29019)
N-nonanoylglycine (CHEBI:74439) has functional parent nonanoic acid (CHEBI:29019)
1-nonanoyl-2-pentadecanoyl-sn-glycero-3-phosphocholine (CHEBI:86281) has functional parent nonanoic acid (CHEBI:29019)
1-octadecanoyl-2-nonanoyl-sn-glycero-3-phosphocholine (CHEBI:138214) has functional parent nonanoic acid (CHEBI:29019)
2-hydroxynonanoic acid (CHEBI:73753) has functional parent nonanoic acid (CHEBI:29019)
2-oxononanoic acid (CHEBI:55523) has functional parent nonanoic acid (CHEBI:29019)
7,8-diaminononanoic acid (CHEBI:2247) has functional parent nonanoic acid (CHEBI:29019)
8-amino-7-oxononanoic acid (CHEBI:15830) has functional parent nonanoic acid (CHEBI:29019)
9-(methylsulfinyl)nonamide (CHEBI:91157) has functional parent nonanoic acid (CHEBI:29019)
9-(methylsulfinyl)nonanoic acid (CHEBI:91156) has functional parent nonanoic acid (CHEBI:29019)
9-aminononanoic acid (CHEBI:73740) has functional parent nonanoic acid (CHEBI:29019)
9-hydroxynonanoic acid (CHEBI:79121) has functional parent nonanoic acid (CHEBI:29019)
9-oxononanoic acid (CHEBI:78700) has functional parent nonanoic acid (CHEBI:29019)
ethyl nonanoate (CHEBI:87501) has functional parent nonanoic acid (CHEBI:29019)
hexadecafluorononanoic acid (CHEBI:38398) has functional parent nonanoic acid (CHEBI:29019)
methyl nonanoate (CHEBI:44499) has functional parent nonanoic acid (CHEBI:29019)
nonanal (CHEBI:84268) has functional parent nonanoic acid (CHEBI:29019)
nonanoyl-CoA (CHEBI:27770) has functional parent nonanoic acid (CHEBI:29019)
perfluorononanoic acid (CHEBI:38397) has functional parent nonanoic acid (CHEBI:29019)
trimethylsilyl nonanoate (CHEBI:145975) has functional parent nonanoic acid (CHEBI:29019)
γ-nonanolactone (CHEBI:10575) has functional parent nonanoic acid (CHEBI:29019)
nonanoate (CHEBI:32361) is conjugate base of nonanoic acid (CHEBI:29019)
nonanoyl group (CHEBI:25580) is substituent group from nonanoic acid (CHEBI:29019)
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
PelargonsäureChEBI
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