Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID016995

Phytochemical name: Homoglutathione

Synonymous chemical names:
homoglutathione

External chemical identifiers:
CID:CID_440380, ChEBI:CHEBI:17078, ZINC:ZINC000004096455, SureChEMBL:SCHEMBL2067187

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Chemical structure information

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

InChI:
InChI=1S/C11H19N3O6S/c12-6(11(19)20)1-2-8(15)14-7(5-21)10(18)13-4-3-9(16)17/h6-7,21H,1-5,12H2,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7-/m0/s1

InChIKey:
HKBNQXMLSMKLJV-BQBZGAKWSA-N

DeepSMILES:
SC[C@@H]C=O)NCCC=O)O))))))NC=O)CC[C@@H]C=O)O))N

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

Link to spectral information:
MSBNK-RIKEN_ReSpect-PS126501, MSBNK-RIKEN_ReSpect-PS126505

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Peptidomimetics

ClassyFire Subclass: Hybrid peptides

NP Classifier Biosynthetic pathway: Amino acids and Peptides

NP Classifier Superclass: Small peptides

NP Classifier Class: Dipeptides

NP-Likeness score: 0.323

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Chemical structure download