Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID003231

Phytochemical name: Propionic acid

Synonymous chemical names:
propanoic acid*, propionic acid, propanoic acid

External chemical identifiers:
CID:CID_1032, ChEMBL:CHEMBL14021, ChEBI:CHEBI:30768, ZINC:ZINC000006050663, FDASRS:JHU490RVYR, SureChEMBL:SCHEMBL290, MolPort-000-871-576

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Chemical structure information

SMILES:
CCC(=O)O

InChI:
InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)

InChIKey:
XBDQKXXYIPTUBI-UHFFFAOYSA-N

DeepSMILES:
CCC=O)O

Functional groups:
CC(=O)O

Link to spectral information:
MSBNK-Keio_Univ-KO001586, MSBNK-Keio_Univ-KO001587, MSBNK-Keio_Univ-KO001588, MSBNK-Keio_Univ-KO001589

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Carboxylic acids

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty Acids and Conjugates

NP Classifier Class: Branched fatty acids

NP-Likeness score: 0.276

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Chemical structure download