Summary

IMPPAT Phytochemical identifier: IMPHY012521

Phytochemical name: Canaline

Synonymous chemical names:
canaline, l-canaline

External chemical identifiers:
CID:441443, ChEMBL:CHEMBL1231652, ChEBI:41401, ZINC:ZINC000001531042, FDASRS:T7H2XP1ZNS, SureChEMBL:SCHEMBL440859, MolPort-019-904-731

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Chemical structure information

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

InChI:
InChI=1S/C4H10N2O3/c5-3(4(7)8)1-2-9-6/h3H,1-2,5-6H2,(H,7,8)/t3-/m0/s1

InChIKey:
FQPGMQABJNQLLF-VKHMYHEASA-N

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

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

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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: 1.512

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Chemical structure download