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BioLiP

PDB CCD ID: GSF
Number of entries in BioLiP: 9
Chemical formula: C10 H17 N3 O8 S
InChI: InChI=1S/C10H17N3O8S/c11-5(10(18)19)1-2-7(14)13-6(4-22(20)21)9(17)12-3-8(15)16/h5-6H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)(H,20,21)/t5-,6-/m0/s1
InChIKey: DMAPAHUEYHXRFI-WDSKDSINSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.5C(CC(=O)N[C@@H](C[S@@](=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
OpenEye OEToolkits 1.7.5C(CC(=O)NC(CS(=O)O)C(=O)NCC(=O)O)C(C(=O)O)N
CACTVS 3.385N[C@@H](CCC(=O)N[C@@H](C[S](O)=O)C(=O)NCC(O)=O)C(O)=O
ACDLabs 10.04O=C(NC(C(=O)NCC(=O)O)CS(=O)O)CCC(C(=O)O)N
CACTVS 3.385N[CH](CCC(=O)N[CH](C[S](O)=O)C(=O)NCC(O)=O)C(O)=O
Name:L-GAMMA-GLUTAMYL-3-SULFINO-L-ALANYLGLYCINE;
GLUTATHIONE SULFINATE
DrugBank: DB04700
ZINC: ZINC000012504471
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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