BioLiP

PDB

BioLiP

PDB CCD ID:

A1H05

Number of entries in BioLiP:

Chemical formula:

C5 H11 N O4

InChI:

InChI=1S/C5H11NO4/c7-2-1-6-3(4(2)8)5(9)10/h2-10H,1H2/t2-,3-,4-/m0/s1

InChIKey:

GRHIWHJZSCBMFQ-HZLVTQRSSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1C(C(C(N1)C(O)O)O)O
OpenEye OEToolkits 2.0.7	C1[C@@H]([C@@H]([C@H](N1)C(O)O)O)O
CACTVS 3.385	OC(O)[C@H]1NC[C@H](O)[C@@H]1O
CACTVS 3.385	OC(O)[CH]1NC[CH](O)[CH]1O

Name:

(2S,3R,4S)-2-[bis(oxidanyl)methyl]pyrrolidine-3,4-diol;
glycosyrin hydrate form

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).