BioLiP

PDB

BioLiP

PDB CCD ID:

IF7

Number of entries in BioLiP:

Chemical formula:

C6 H11 N O4

InChI:

InChI=1S/C6H11NO4/c8-2-3-1-7-6(11)5(10)4(3)9/h3-5,8-10H,1-2H2,(H,7,11)/t3-,4+,5+/m1/s1

InChIKey:

ARBXEMIAJIJEQI-WISUUJSJSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C1C(C(C(C(=O)N1)O)O)CO
OpenEye OEToolkits 1.7.6	C1[C@@H]([C@@H]([C@@H](C(=O)N1)O)O)CO
CACTVS 3.385	OC[CH]1CNC(=O)[CH](O)[CH]1O
CACTVS 3.385	OC[C@H]1CNC(=O)[C@@H](O)[C@H]1O

Name:

(3S,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)piperidin-2-one;
ISO-GALACTO-FAGOMINE LACTAM

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).