Summary

IMPPAT Phytochemical identifier: IMPHY007641

Phytochemical name: Allophanic acid

Synonymous chemical names:
allophanic acid

External chemical identifiers:
CID:150833, ChEBI:9889, ZINC:ZINC000004095510, FDASRS:0W5I7B2C2H, SureChEMBL:SCHEMBL22493

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Chemical structure information

SMILES:
NC(=O)NC(=O)O

InChI:
InChI=1S/C2H4N2O3/c3-1(5)4-2(6)7/h(H,6,7)(H3,3,4,5)

InChIKey:
AVWRKZWQTYIKIY-UHFFFAOYSA-N

DeepSMILES:
NC=O)NC=O)O

Functional groups:
NC(=O)NC(=O)O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Organic carbonic acids and derivatives

ClassyFire Subclass: Ureas

NP Classifier Biosynthetic pathway: Amino acids and Peptides

NP Classifier Superclass: Small peptides

NP Classifier Class: Aminoacids

NP-Likeness score: -0.387

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Chemical structure download