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BioLiP

PDB CCD ID: BDG
Number of entries in BioLiP: 1
Chemical formula: C6 H14 N2 O4
InChI: InChI=1S/C6H14N2O4/c7-1-2-4(9)5(10)3(8)6(11)12-2/h2-6,9-11H,1,7-8H2/t2-,3-,4-,5-,6+/m1/s1
InChIKey: SQTHUUHOUPJYLK-UKFBFLRUSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341NC[CH]1O[CH](O)[CH](N)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)N)O)O)N
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)N
CACTVS 3.341NC[C@H]1O[C@H](O)[C@H](N)[C@@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1N)CN
Name:2,6-diamino-2,6-dideoxy-alpha-D-glucopyranose;
O-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-D-GLUCOPYRANOSE;
2,6-diamino-2,6-dideoxy-alpha-D-glucose;
2,6-diamino-2,6-dideoxy-D-glucose;
2,6-diamino-2,6-dideoxy-glucose
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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