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BioLiP Library

PDB CCD ID: BGN
Number of entries in BioLiP: 2
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:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O
OpenEye OEToolkits 1.5.0CCCC(=O)NC1C(C(C(OC1O)CO)O)O
CACTVS 3.341CCCC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O
ACDLabs 10.04O=C(NC1C(O)C(O)C(OC1O)CO)CCC
CACTVS 3.341CCCC(=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, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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