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BioLiP

PDB CCD ID: B6D
Number of entries in BioLiP: 25
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:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1C(C(C(C(O1)O)NC(=O)C)O)NC(=O)C
CACTVS 3.341C[CH]1O[CH](O)[CH](NC(C)=O)[CH](O)[CH]1NC(C)=O
ACDLabs 10.04O=C(NC1C(OC(O)C(NC(=O)C)C1O)C)C
OpenEye OEToolkits 1.5.0C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)NC(=O)C)O)NC(=O)C
CACTVS 3.341C[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, Peter L 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).

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