Summary

IMPPAT Phytochemical identifier: IMPHY006221

Phytochemical name: Tiglic acid

Synonymous chemical names:
tiglic acid

External chemical identifiers:
CID:125468, ChEMBL:CHEMBL52416, ChEBI:9592, ZINC:ZINC000000897443, FDASRS:I5792N03HC, SureChEMBL:SCHEMBL15042, MolPort-001-766-679

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Chemical structure information

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

InChI:
InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3+

InChIKey:
UIERETOOQGIECD-ONEGZZNKSA-N

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

Functional groups:
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: Branched fatty acids

NP-Likeness score: 2.338

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Chemical structure download