BioLiP

PDB

BioLiP

PDB CCD ID:

B6D

Number of entries in BioLiP:

Chemical formula:

C10 H18 N2 O5

InChI:

InChI=1S/C10H18N2O5/c1-4-7(11-5(2)13)9(15)8(10(16)17-4)12-6(3)14/h4,7-10,15-16H,1-3H3,(H,11,13)(H,12,14)/t4-,7-,8-,9+,10-/m1/s1

InChIKey:

NRXWTRNYICXMBF-DAJIKZSHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC1C(C(C(C(O1)O)NC(=O)C)O)NC(=O)C
CACTVS 3.341	C[CH]1O[CH](O)[CH](NC(C)=O)[CH](O)[CH]1NC(C)=O
ACDLabs 10.04	O=C(NC1C(OC(O)C(NC(=O)C)C1O)C)C
OpenEye OEToolkits 1.5.0	C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)NC(=O)C)O)NC(=O)C
CACTVS 3.341	C[C@H]1O[C@@H](O)[C@H](NC(C)=O)[C@@H](O)[C@@H]1NC(C)=O

Name:

2,4-bisacetamido-2,4,6-trideoxy-beta-D-glucopyranose;
2,4-bis(acetylamino)-2,4,6-trideoxy-beta-D-glucopyranose;
2,4-diacetamido-2,4,6-trideoxy-beta-D-glucopyranose;
bacillosamine;
2,4-bisacetamido-2,4,6-trideoxy-beta-D-glucose;
2,4-bisacetamido-2,4,6-trideoxy-D-glucose;
2,4-bisacetamido-2,4,6-trideoxy-glucose

ZINC:

ZINC000058633523

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).