Summary

IMPPAT Phytochemical identifier: IMPHY006526

Phytochemical name: Sorbic acid

Synonymous chemical names:
sorbic acid, sorbicacid

External chemical identifiers:
CID:643460, ChEMBL:CHEMBL250212, ChEBI:38358, ZINC:ZINC000001558385, FDASRS:X045WJ989B, SureChEMBL:SCHEMBL1647, MolPort-001-780-268

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Chemical structure information

SMILES:
C/C=C/C=C/C(=O)O

InChI:
InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)/b3-2+,5-4+

InChIKey:
WSWCOQWTEOXDQX-MQQKCMAXSA-N

DeepSMILES:
C/C=C/C=C/C=O)O

Functional groups:
C/C=C/C=C/C(=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: 1.739

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Chemical structure download