Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017961

Phytochemical name: Acetic acid

Synonymous chemical names:
Acetic Acid

External chemical identifiers:
CID:CID_176, ChEMBL:CHEMBL539, ChEBI:CHEBI:15366, ZINC:ZINC000005224164, FDASRS:Q40Q9N063P, SureChEMBL:SCHEMBL469, Molport-000-871-575

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Chemical structure information

SMILES:
CC(=O)O

InChI:
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)

InChIKey:
QTBSBXVTEAMEQO-UHFFFAOYSA-N

DeepSMILES:
CC=O)O

Functional groups:
CC(=O)O

Link to spectral information:
MSBNK-Keio_Univ-KO000045, MSBNK-Keio_Univ-KO000044, MSBNK-Keio_Univ-KO000046, MSBNK-Keio_Univ-KO000042, MSBNK-Keio_Univ-KO000043

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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: Amino acids and Peptides, Fatty acids, Shikimates and Phenylpropanoids

NP Classifier Superclass: Small peptides

NP Classifier Class: Aminoacids

NP-Likeness score: 0.471

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Chemical structure download