BioLiP

PDB

BioLiP

PDB CCD ID:

GSN

Number of entries in BioLiP:

Chemical formula:

C10 H14 N4 O7 S

InChI:

InChI=1S/C10H16N4O7S/c11-5(10(19)20)1-2-7(15)13-6(4-22-14-21)9(18)12-3-8(16)17/h5-6H,1-4,11H2,(H,12,18)(H,13,15)(H,16,17)(H,19,20)/p-2/t5-,6-/m0/s1

InChIKey:

HYHSBSXUHZOYLX-WDSKDSINSA-L

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C(CC(=O)N[C@@H](CSN=O)C(=O)NCC(=O)[O-])[C@@H](C(=O)[O-])N
CACTVS 3.341	N[C@@H](CCC(=O)N[C@@H](CSN=O)C(=O)NCC([O-])=O)C([O-])=O
OpenEye OEToolkits 1.5.0	C(CC(=O)NC(CSN=O)C(=O)NCC(=O)[O-])C(C(=O)[O-])N
CACTVS 3.341	N[CH](CCC(=O)N[CH](CSN=O)C(=O)NCC([O-])=O)C([O-])=O
ACDLabs 10.04	O=C(NC(C(=O)NCC([O-])=O)CSN=O)CCC(C([O-])=O)N

Name:

2-AMINO-5-[1-(CARBOXYLATOMETHYLCARBAMOYL)-2-NITROSOSULFANYL-ETHYL]AMINO-5-OXO-PENTANOATE;
S-NITROSOGLUTATHIONE;
S-NITROSO GAMMA-GLUTAMYLCYSTEINYLGLYCINE

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).