BioLiP

PDB

BioLiP

PDB CCD ID:

A1L3Z

Number of entries in BioLiP:

Chemical formula:

C6 H13 N O4

InChI:

InChI=1S/C6H13NO4/c8-2-4(10)5-6(11)3(9)1-7-5/h3-11H,1-2H2/t3-,4+,5-,6+/m0/s1

InChIKey:

RVNSAAIWCWTCTJ-BGPJRJDNSA-N

SMILES:

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

Name:

(2~{S},3~{S},4~{S})-2-[(1~{S})-1,2-bis(oxidanyl)ethyl]pyrrolidine-3,4-diol

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).