Summary

IMPPAT Phytochemical identifier: IMPHY000288

Phytochemical name: Pyroglutamylglutamine

Synonymous chemical names:
(2s,2s)-pyroglutaminylglutamine, pyroglutamylglutamine

External chemical identifiers:
CID:11010621, ChEBI:88956, ZINC:ZINC000004899811, SureChEMBL:SCHEMBL159687

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Chemical structure information

SMILES:
NC(=O)CC[C@@H](C(=O)O)NC(=O)[C@@H]1CCC(=O)N1

InChI:
InChI=1S/C10H15N3O5/c11-7(14)3-1-6(10(17)18)13-9(16)5-2-4-8(15)12-5/h5-6H,1-4H2,(H2,11,14)(H,12,15)(H,13,16)(H,17,18)/t5-,6-/m0/s1

InChIKey:
ILAITOFTZJRIFJ-WDSKDSINSA-N

DeepSMILES:
NC=O)CC[C@@H]C=O)O))NC=O)[C@@H]CCC=O)N5

Functional groups:
CC(=O)NC, CC(=O)O, CC(N)=O, CNC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCN1

Scaffold Graph/Node level:
OC1CCCN1

Scaffold Graph level:
CC1CCCC1

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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: 0.101

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Chemical structure download