Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001940

Phytochemical name: Glutathione

Synonymous chemical names:
glutathione

External chemical identifiers:
CID:CID_124886, ChEMBL:CHEMBL1543, ChEBI:CHEBI:16856, ZINC:ZINC000003830891, FDASRS:GAN16C9B8O, SureChEMBL:SCHEMBL9167, MolPort-000-003-913

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Chemical structure information

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

InChI:
InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1

InChIKey:
RWSXRVCMGQZWBV-WDSKDSINSA-N

DeepSMILES:
SC[C@@H]C=O)NCC=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-NAIST-KNA00522, MSBNK-RIKEN_ReSpect-PS027401, MSBNK-RIKEN_ReSpect-PS027403, MSBNK-RIKEN_ReSpect-PS027407, MSBNK-RIKEN_ReSpect-PS027405, MSBNK-RIKEN_ReSpect-PS027408, MSBNK-NAIST-KNA00521, MSBNK-RIKEN_ReSpect-PS027404, MSBNK-NAIST-KNA00520, MSBNK-NAIST-KNA00121, MSBNK-NAIST-KNA00124, MSBNK-NAIST-KNA00123, MSBNK-NAIST-KNA00122, MSBNK-Keio_Univ-KO000828, MSBNK-Keio_Univ-KO000827, MSBNK-Keio_Univ-KO000826, MSBNK-Keio_Univ-KO000825, MSBNK-Keio_Univ-KO000824, MSBNK-NAIST-KNA00519

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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: Tripeptides

NP-Likeness score: 0.482

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Chemical structure download