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

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Chemical structure information

SMILES:
CCCCCCCCC(=O)O

InChI:
InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)

InChIKey:
FBUKVWPVBMHYJY-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCC=O)O

Functional groups:
CC(=O)O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire 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

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Chemical structure download