BioLiP

PDB

BioLiP

PDB CCD ID:

AMV

Number of entries in BioLiP:

Chemical formula:

C12 H21 N O8

InChI:

InChI=1S/C12H21NO8/c1-5(11(17)18)20-10-8(13-6(2)15)12(19-3)21-7(4-14)9(10)16/h5,7-10,12,14,16H,4H2,1-3H3,(H,13,15)(H,17,18)/t5-,7-,8-,9-,10-,12-/m1/s1

InChIKey:

UXEQYDNCHCKBIL-PKKPQKKZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC(C(=O)O)OC1C(C(OC(C1O)CO)OC)NC(=O)C
OpenEye OEToolkits 1.5.0	C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)OC)NC(=O)C
CACTVS 3.341	CO[CH]1O[CH](CO)[CH](O)[CH](O[CH](C)C(O)=O)[CH]1NC(C)=O
ACDLabs 10.04	O=C(O)C(OC1C(O)C(OC(OC)C1NC(=O)C)CO)C
CACTVS 3.341	CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@H](C)C(O)=O)[C@H]1NC(C)=O

Name:

methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside;
METHYL 2-(ACETYLAMINO)-3-O-[(1R)-1-CARBOXYETHYL]-2-DEOXY-BETA-D-GLUCOPYRANOSIDE;
methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucoside;
methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-D-glucoside;
methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-glucoside

ZINC:

ZINC000058650293

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).