BioLiP

PDB

BioLiP

PDB CCD ID:

BGN

Number of entries in BioLiP:

Chemical formula:

C10 H19 N O6

InChI:

InChI=1S/C10H19NO6/c1-2-3-6(13)11-7-9(15)8(14)5(4-12)17-10(7)16/h5,7-10,12,14-16H,2-4H2,1H3,(H,11,13)/t5-,7-,8-,9-,10-/m1/s1

InChIKey:

RPJMPMDUKSRLLF-QXOHVQIXSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O
OpenEye OEToolkits 1.5.0	CCCC(=O)NC1C(C(C(OC1O)CO)O)O
CACTVS 3.341	CCCC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O
ACDLabs 10.04	O=C(NC1C(O)C(O)C(OC1O)CO)CCC
CACTVS 3.341	CCCC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O

Name:

2-(butanoylamino)-2-deoxy-beta-D-glucopyranose;
N-BUTANOYL-2-AMINO-2-DEOXY-GLUCOPYRANOSIDE;
N-BUTANOYL-GLUCOSAMINE;
N-butanoyl-beta-D-glucosamine;
2-(butanoylamino)-2-deoxy-beta-D-glucose;
2-(butanoylamino)-2-deoxy-D-glucose;
2-(butanoylamino)-2-deoxy-glucose

ChEMBL:

CHEMBL1231320

ZINC:

ZINC000005972854

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).