BioLiP

PDB

BioLiP

PDB CCD ID:

9WJ

Number of entries in BioLiP:

Chemical formula:

C8 H15 N O5

InChI:

InChI=1S/C8H15NO5/c1-3-5(9-4(2)10)6(11)7(12)8(13)14-3/h3,5-8,11-13H,1-2H3,(H,9,10)/t3-,5-,6+,7+,8-/m1/s1

InChIKey:

LMIZXKMXHCOVTQ-NDBSEGGWSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)NC(=O)C
OpenEye OEToolkits 2.0.6	CC1C(C(C(C(O1)O)O)O)NC(=O)C
CACTVS 3.385	C[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1NC(C)=O
CACTVS 3.385	C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1NC(C)=O
ACDLabs 12.01	OC1C(C(OC(C1NC(=O)C)C)O)O

Name:

4-acetamido-4,6-dideoxy-beta-D-mannopyranose;
4-(acetylamino)-4,6-dideoxy-beta-D-mannopyranose;
4-(acetylamino)-4-deoxy-beta-D-rhamnopyranose;
4-acetamido-4,6-dideoxy-beta-D-mannose;
4-acetamido-4,6-dideoxy-D-mannose;
4-acetamido-4,6-dideoxy-mannose

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).