Summary

IMPPAT Phytochemical identifier: IMPHY001939

Phytochemical name: Hypoglycin

Synonymous chemical names:
hypoglycin, hypoglycin a

External chemical identifiers:
CID:11768666, ChEMBL:CHEMBL1615355, ZINC:ZINC000003876008, FDASRS:7GB7U7M282, SureChEMBL:SCHEMBL476273, MolPort-006-394-612

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Chemical structure information

SMILES:
N[C@H](C(=O)O)C[C@H]1CC1=C

InChI:
InChI=1S/C7H11NO2/c1-4-2-5(4)3-6(8)7(9)10/h5-6H,1-3,8H2,(H,9,10)/t5-,6+/m1/s1

InChIKey:
OOJZCXFXPZGUBJ-RITPCOANSA-N

DeepSMILES:
N[C@H]C=O)O))C[C@H]CC3=C

Functional groups:
C=C1CC1, CC(=O)O, CN

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CC1

Scaffold Graph/Node level:
CC1CC1

Scaffold Graph level:
CC1CC1

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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: 2.221

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Chemical structure download