SEQ2FUN

BioLiP

PDB CCD ID: A1BIG
Number of entries in BioLiP: 1
Chemical formula: C30 H49 N3 O6 S
InChI: InChI=1S/C30H49N3O6S/c1-21(2)9-6-10-22(3)11-7-12-23(4)13-8-14-24(5)17-18-40-20-26(29(37)32-19-28(35)36)33-27(34)16-15-25(31)30(38)39/h9,11,13,17,25-26H,6-8,10,12,14-16,18-20,31H2,1-5H3,(H,32,37)(H,33,34)(H,35,36)(H,38,39)/b22-11+,23-13+,24-17-/t25-,26-/m0/s1
InChIKey: BAJIBEVLRWVBAZ-WKALPULASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0CC(=CCC/C(=C/CC/C(=C/CC/C(=C\CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)/C)/C)/C)C
ACDLabs 14.52O=C(NC(CSC\C=C(\C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C)C(=O)NCC(=O)O)CCC(N)C(=O)O
CACTVS 3.385CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O
CACTVS 3.385CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCSC[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O
OpenEye OEToolkits 3.1.0.0CC(=CCCC(=CCCC(=CCCC(=CCSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C)C)C)C
Name:L-gamma-glutamyl-S-[(2Z,6E)-3,7,15-trimethyl-11-methylidenehexadeca-2,6,14-trien-1-yl]-L-cysteinylglycine;
S-Geranylgeranyl-L-glutathione
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).