BioLiP

PDB

BioLiP

PDB CCD ID:

MN9

Number of entries in BioLiP:

Chemical formula:

C8 H15 N O6

InChI:

InChI=1S/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5-,6-,7-,8-/m1/s1

InChIKey:

MBLBDJOUHNCFQT-WCTZXXKLSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.6.1	CC(=O)NC(C=O)C(C(C(CO)O)O)O
CACTVS 3.352	CC(=O)N[CH](C=O)[CH](O)[CH](O)[CH](O)CO
ACDLabs 10.04	O=CC(NC(=O)C)C(O)C(O)C(O)CO
OpenEye OEToolkits 1.6.1	CC(=O)N[C@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O
CACTVS 3.352	CC(=O)N[C@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO

Name:

2-(ACETYLAMINO)-2-DEOXY-D-MANNOSE

DrugBank:

DB12536

ZINC:

ZINC000002020190

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).