BioLiP

PDB

BioLiP

PDB CCD ID:

B1Y

Number of entries in BioLiP:

Chemical formula:

C7 H14 N2 O5 S

InChI:

InChI=1S/C7H14N2O5S/c8-5(7(11)15(12,13)14)3-4-1-2-9-6(4)10/h4-5,7,11H,1-3,8H2,(H,9,10)(H,12,13,14)/t4-,5-,7+/m0/s1

InChIKey:

XADNOHUHGUXHMN-KZLJYQGOSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C1CNC(=O)[C@@H]1C[C@@H]([C@H](O)S(=O)(=O)O)N
CACTVS 3.385	N[CH](C[CH]1CCNC1=O)[CH](O)[S](O)(=O)=O
CACTVS 3.385	N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)[S](O)(=O)=O
OpenEye OEToolkits 2.0.6	C1CNC(=O)C1CC(C(O)S(=O)(=O)O)N
ACDLabs 12.01	NC(C(S(=O)(=O)O)O)CC1CCNC1=O

Name:

(1R,2S)-2-amino-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

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).