Summary
IMPPAT Phytochemical identifier: IMPHY012100
Phytochemical name: Nonanoic acid
Synonymous chemical names:n-nonanoic acid, nonanoic acid, nonanoic acid, nonylic acid, pelargonic acid, pelargonic acid (c9), pelargonic acid (nonanoic acid), pelargonic acid�
External chemical identifiers:CID:8158, ChEMBL:CHEMBL108436, ChEBI:29019, ZINC:ZINC000001529234, FDASRS:97SEH7577T, SureChEMBL:SCHEMBL21966, MolPort-000-881-522
Chemical structure information
SMILES:
CCCCCCCCC(=O)OInChI:
InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)InChIKey:
FBUKVWPVBMHYJY-UHFFFAOYSA-NDeepSMILES:
CCCCCCCCC=O)OFunctional groups:
CC(=O)O
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Lipids and lipid-like moleculesClassyFire Class: Fatty acyls
ClassyFire Subclass: Fatty acids and conjugates
NP Classifier Biosynthetic pathway: Fatty acids
NP Classifier Superclass: Fatty Acids and Conjugates
NP Classifier Class: Branched fatty acids, Unsaturated fatty acids
NP-Likeness score: 0.63
Chemical structure download