Summary

IMPPAT Phytochemical identifier: IMPHY002773

Phytochemical name: Mesoxalic acid

Synonymous chemical names:
oxopropanedioic acid

External chemical identifiers:
CID:10132, ChEBI:30842, ZINC:ZINC000001532759, FDASRS:62R514HE48, SureChEMBL:SCHEMBL28953

---

Chemical structure information

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

InChI:
InChI=1S/C3H2O5/c4-1(2(5)6)3(7)8/h(H,5,6)(H,7,8)

InChIKey:
XEEVLJKYYUVTRC-UHFFFAOYSA-N

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

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

---

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: 0.324

---

Chemical structure download