BioLiP

PDB

BioLiP

PDB CCD ID:

Z9W

Number of entries in BioLiP:

Chemical formula:

C8 H15 N O5

InChI:

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

InChIKey:

XOCCAGJZGBCJME-PNAXYBNRSA-N

SMILES:

Software	SMILES
CACTVS 3.370	C[CH]1O[CH](O)[CH](NC(C)=O)[CH](O)[CH]1O
CACTVS 3.370	C[C@H]1O[C@@H](O)[C@H](NC(C)=O)[C@@H](O)[C@@H]1O
ACDLabs 12.01	O=C(NC1C(O)C(O)C(OC1O)C)C
OpenEye OEToolkits 1.7.6	C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)NC(=O)C)O)O
OpenEye OEToolkits 1.7.6	CC1C(C(C(C(O1)O)NC(=O)C)O)O

Name:

2-acetamido-2-deoxy-beta-D-quinovopyranose;
2-acetamido-2,6-deoxy-beta-D-glucopyranose;
6-deoxy-N-acetyl-beta-D-glucosamine;
N-acetyl-beta-D-quinosamine;
2-acetamido-2-deoxy-beta-D-quinovose;
2-acetamido-2-deoxy-D-quinovose;
2-acetamido-2-deoxy-quinovose;
2-(acetylamino)-2,6-dideoxy-beta-D-glucopyranose

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).