Summary

IMPPAT Phytochemical identifier: IMPHY012089

Phytochemical name: Valeric acid

Synonymous chemical names:
n-valeric acid, pentanoic acid, valeric acid, valeric acid

External chemical identifiers:
CID:7991, ChEMBL:CHEMBL268736, ChEBI:17418, ZINC:ZINC000031500905, FDASRS:GZK92PJM7B, SureChEMBL:SCHEMBL5886, MolPort-001-780-113

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Chemical structure information

SMILES:
CCCCC(=O)O

InChI:
InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)

InChIKey:
NQPDZGIKBAWPEJ-UHFFFAOYSA-N

DeepSMILES:
CCCCC=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: 0.563

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Chemical structure download