Summary

IMPPAT Phytochemical identifier: IMPHY003418

Phytochemical name: L-canavanine

Synonymous chemical names:
canavanin, canavanine

External chemical identifiers:
CID:439202, ChEMBL:CHEMBL443732, ChEBI:609827, ZINC:ZINC000003869452, FDASRS:3HZV514J4B, SureChEMBL:SCHEMBL151097

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Chemical structure information

SMILES:
OC(=O)[C@H](CCON=C(N)N)N

InChI:
InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H4,7,8,9)/t3-/m0/s1

InChIKey:
FSBIGDSBMBYOPN-VKHMYHEASA-N

DeepSMILES:
OC=O)[C@H]CCON=CN)N))))))N

Functional groups:
CC(=O)O, CN, CON=C(N)N

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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: Amino acids and Peptides

NP Classifier Superclass: Small peptides

NP Classifier Class: Aminoacids

NP-Likeness score: 0.791

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Chemical structure download