BioLiP

PDB

BioLiP

PDB CCD ID:

BM7

Number of entries in BioLiP:

Chemical formula:

C8 H15 N O6

InChI:

InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5+,6-,7-,8-/m1/s1

InChIKey:

OVRNDRQMDRJTHS-OZRXBMAMSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O
ACDLabs 12.01	C1(OC(C(C(C1NC(=O)C)O)O)CO)O
OpenEye OEToolkits 1.9.2	CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O
CACTVS 3.385	CC(=O)N[C@@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.9.2	CC(=O)NC1C(C(C(OC1O)CO)O)O

Name:

2-acetamido-2-deoxy-beta-D-mannopyranose;
N-acetyl-beta-D-mannosamine;
2-acetamido-2-deoxy-beta-D-mannose;
2-acetamido-2-deoxy-D-mannose;
2-acetamido-2-deoxy-mannose;
2-(acetylamino)-2-deoxy-beta-D-mannopyranose

ZINC:

ZINC000004228290

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).