Summary

IMPPAT Phytochemical identifier: IMPHY013929

Phytochemical name: 2-(Hydroxymethyl)acrylic acid

Synonymous chemical names:
hydroxymethylacrylic acid

External chemical identifiers:
CID:199534, ChEMBL:CHEMBL1256640, ZINC:ZINC000003642177, SureChEMBL:SCHEMBL136796, MolPort-020-893-603

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Chemical structure information

SMILES:
OCC(=C)C(=O)O

InChI:
InChI=1S/C4H6O3/c1-3(2-5)4(6)7/h5H,1-2H2,(H,6,7)

InChIKey:
AAMTXHVZOHPPQR-UHFFFAOYSA-N

DeepSMILES:
OCC=C)C=O)O

Functional groups:
C=C(C)C(=O)O, CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Hydroxy acids and derivatives

ClassyFire Subclass: Beta hydroxy acids and derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty Acids and Conjugates

NP Classifier Class: Branched fatty acids

NP-Likeness score: 1.997

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Chemical structure download