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BioLiP

PDB CCD ID: GTY
Number of entries in BioLiP: 1
Chemical formula: C18 H33 N3 O6 S
InChI: InChI=1S/C18H33N3O6S/c1-2-3-4-5-6-7-10-28-12-14(17(25)20-11-16(23)24)21-15(22)9-8-13(19)18(26)27/h13-14H,2-12,19H2,1H3,(H,20,25)(H,21,22)(H,23,24)(H,26,27)/t13-,14-/m0/s1
InChIKey: MJWCZWAVSJZQNL-KBPBESRZSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N
CACTVS 3.341CCCCCCCCSC[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O
ACDLabs 10.04O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSCCCCCCCC
CACTVS 3.341CCCCCCCCSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O
OpenEye OEToolkits 1.5.0CCCCCCCCSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N
Name:L-GAMMA-GLUTAMYL-S-OCTYL-D-CYSTEINYLGLYCINE;
S-OCTYLGLUTATHIONE
DrugBank: DB03032
ZINC: ZINC000008234408
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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