Summary

IMPPAT Phytochemical identifier: IMPHY001742

Phytochemical name: gamma-Glutamylaspartic acid

Synonymous chemical names:
gamma-glutamylaspartic acid

External chemical identifiers:
CID:161197, ChEBI:169907, SureChEMBL:SCHEMBL6021265

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Chemical structure information

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

InChI:
InChI=1S/C9H14N2O7/c10-4(8(15)16)1-2-6(12)11-5(9(17)18)3-7(13)14/h4-5H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18)/t4-,5-/m0/s1

InChIKey:
JTJZAUVWVBUZAU-WHFBIAKZSA-N

DeepSMILES:
O=CN[C@H]C=O)O))CC=O)O)))))CC[C@@H]C=O)O))N

Functional groups:
CC(=O)NC, 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: Dipeptides

NP-Likeness score: 0.654

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Chemical structure download