Summary

IMPPAT Phytochemical identifier: IMPHY006220

Phytochemical name: Angelic acid

Synonymous chemical names:
angelic acid, angelic-acid, sumbulic-acid

External chemical identifiers:
CID:643915, ChEMBL:CHEMBL55941, ChEBI:36431, ZINC:ZINC000000897447, FDASRS:54U4ZPB36F, SureChEMBL:SCHEMBL133954, MolPort-006-111-892

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Chemical structure information

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

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

InChIKey:
UIERETOOQGIECD-ARJAWSKDSA-N

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