Summary

IMPPAT Phytochemical identifier: IMPHY005753

Phytochemical name: Allantoic acid

Synonymous chemical names:
allantoic acid, allantoic-acid

External chemical identifiers:
CID:203, ChEBI:30837, ZINC:ZINC000000895265, FDASRS:02WGT7SHWJ, SureChEMBL:SCHEMBL483061, MolPort-002-915-359

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Chemical structure information

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

InChI:
InChI=1S/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12)

InChIKey:
NUCLJNSWZCHRKL-UHFFFAOYSA-N

DeepSMILES:
OC=O)CNC=O)N)))NC=O)N

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

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Amino acids, peptides, and analogues

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Pseudoalkaloids

NP Classifier Class: Purine alkaloids

NP-Likeness score: 0.182

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Chemical structure download