BioLiP

PDB

BioLiP

PDB CCD ID:

UI5

Number of entries in BioLiP:

Chemical formula:

C6 H13 N O3

InChI:

InChI=1S/C6H13NO3/c7-4-1-5(9)6(10)3(4)2-8/h3-6,8-10H,1-2,7H2/t3-,4-,5+,6+/m1/s1

InChIKey:

XJKPQBOZNVQXOP-ZXXMMSQZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1C(C(C(C1O)O)CO)N
CACTVS 3.385	N[CH]1C[CH](O)[CH](O)[CH]1CO
CACTVS 3.385	N[C@@H]1C[C@H](O)[C@@H](O)[C@@H]1CO
OpenEye OEToolkits 2.0.7	C1[C@H]([C@H]([C@@H]([C@H]1O)O)CO)N

Name:

(1~{S},2~{S},3~{S},4~{R})-4-azanyl-3-(hydroxymethyl)cyclopentane-1,2-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).