Summary

IMPPAT Phytochemical identifier: IMPHY008595

Phytochemical name: Nonadecanoic acid

Synonymous chemical names:
nona-decanoic, nonadecanoic acid

External chemical identifiers:
CID:12591, ChEMBL:CHEMBL1169674, ChEBI:39246, ZINC:ZINC000030731058, FDASRS:H6M3VYC62P, SureChEMBL:SCHEMBL107777, MolPort-001-780-112

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCC(=O)O

InChI:
InChI=1S/C19H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-18H2,1H3,(H,20,21)

InChIKey:
ISYWECDDZWTKFF-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCC=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: Unsaturated fatty acids

NP-Likeness score: 0.33

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Chemical structure download