Summary

IMPPAT Phytochemical identifier: IMPHY014230

Phytochemical name: L-Canavanine sulfate

Synonymous chemical names:
canavanine sulphate

External chemical identifiers:
CID:11957500, ChEMBL:CHEMBL1551643, ChEBI:78901, FDASRS:PN00Q697SG, SureChEMBL:SCHEMBL344182, MolPort-047-151-586

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Chemical structure information

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

InChI:
InChI=1S/C5H12N4O3.H2O4S/c6-3(4(10)11)1-2-12-9-5(7)8;1-5(2,3)4/h3H,1-2,6H2,(H,10,11)(H4,7,8,9);(H2,1,2,3,4)/t3-;/m0./s1

InChIKey:
MVIPJKVMOKFIEV-DFWYDOINSA-N

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

Functional groups:
CC(=O)O, CN, CON=C(N)N, O=S(=O)(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: Amino acids and Peptides

NP Classifier Superclass: Small peptides

NP Classifier Class: Aminoacids

NP-Likeness score: 0.509

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Chemical structure download