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BioLiP

PDB CCD ID: TOA
Number of entries in BioLiP: 0
Chemical formula: C6 H14 N O5
InChI: InChI=1S/C6H13NO5/c7-3-4(9)2(1-8)12-6(11)5(3)10/h2-6,8-11H,1,7H2/p+1/t2-,3+,4-,5-,6+/m1/s1
InChIKey: BQCCAEOLPYCBAE-RXRWUWDJSA-O
SMILES:
SoftwareSMILES
ACDLabs 10.04OC1C([NH3+])C(O)C(OC1O)CO
CACTVS 3.341[NH3+][C@@H]1[C@@H](O)[C@@H](O)O[C@H](CO)[C@H]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)[NH3+])O)O
CACTVS 3.341[NH3+][CH]1[CH](O)[CH](O)O[CH](CO)[CH]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)[NH3+])O)O
Name:3-ammonio-3-deoxy-alpha-D-glucopyranose;
3-DEOXY-3-AMINO GLUCOSE;
3-ammonio-3-deoxy-alpha-D-glucose;
3-ammonio-3-deoxy-D-glucose;
3-ammonio-3-deoxy-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)(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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