Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000064

Phytochemical name: Oxalic acid

Synonymous chemical names:
ethanedioic acid, oxalic acid, oxalic-acid

External chemical identifiers:
CID:CID_971, ChEMBL:CHEMBL146755, ChEBI:CHEBI:16995, ZINC:ZINC000006021239, FDASRS:9E7R5L6H31, SureChEMBL:SCHEMBL776, MolPort-001-779-798

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Chemical structure information

SMILES:
OC(=O)C(=O)O

InChI:
InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)

InChIKey:
MUBZPKHOEPUJKR-UHFFFAOYSA-N

DeepSMILES:
OC=O)C=O)O

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

Link to spectral information:
MSBNK-Osaka_Univ-OUF00407, MSBNK-RIKEN_ReSpect-PS007701

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Dicarboxylic acids and derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty Acids and Conjugates

NP Classifier Class: Dicarboxylic acids

NP-Likeness score: 0.422

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Chemical structure download