Summary

IMPPAT Phytochemical identifier: IMPHY015610

Phytochemical name: Desaminocanavanine

Synonymous chemical names:
desaminocanavanine

External chemical identifiers:
CID:129650907

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Chemical structure information

SMILES:
OC(=O)CCCO/N=C(N)/C

InChI:
InChI=1S/C6H12N2O3/c1-5(7)8-11-4-2-3-6(9)10/h2-4H2,1H3,(H2,7,8)(H,9,10)

InChIKey:
HJFSYFRUEGETHG-UHFFFAOYSA-N

DeepSMILES:
OC=O)CCCO/N=CN)/C

Functional groups:
CC(=O)O, CO/N=C(/C)N

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acids and conjugates

NP Classifier Biosynthetic pathway: Amino acids and Peptides, Shikimates and Phenylpropanoids

NP Classifier Superclass: Small peptides

NP Classifier Class: Aminoacids

NP-Likeness score: 0.121

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Chemical structure download