Summary

IMPPAT Phytochemical identifier: IMPHY013852

Phytochemical name: 4-Methyleneglutamic acid

Synonymous chemical names:
gamma-methylene glutamic acid

External chemical identifiers:
CID:96407, ChEMBL:CHEMBL38817, ChEBI:48029, SureChEMBL:SCHEMBL1476505

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Chemical structure information

SMILES:
NC(C(=O)O)CC(=C)C(=O)O

InChI:
InChI=1S/C6H9NO4/c1-3(5(8)9)2-4(7)6(10)11/h4H,1-2,7H2,(H,8,9)(H,10,11)

InChIKey:
RCCMXKJGURLWPB-UHFFFAOYSA-N

DeepSMILES:
NCC=O)O))CC=C)C=O)O

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

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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: 1.651

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Chemical structure download