BioLiP

PDB

BioLiP

PDB CCD ID:

Z8V

Number of entries in BioLiP:

Chemical formula:

C9 H18 N2 O5

InChI:

InChI=1S/C9H18N2O5/c1-4(14)10-7-5(2-12)11-6(3-13)8(15)9(7)16/h5-9,11-13,15-16H,2-3H2,1H3,(H,10,14)/t5-,6+,7-,8+,9+/m0/s1

InChIKey:

GYKHMAHAJKZLAT-KVEIKIFDSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(=O)NC1C(NC(C(C1O)O)CO)CO
CACTVS 3.385	CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)N[CH]1CO
ACDLabs 12.01	OC1C(O)C(NC(C)=O)C(CO)NC1CO
CACTVS 3.385	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)N[C@H]1CO
OpenEye OEToolkits 2.0.7	CC(=O)N[C@H]1[C@@H](N[C@@H]([C@H]([C@@H]1O)O)CO)CO

Name:

N-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)piperidin-3-yl]acetamide

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).