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BioLiP

PDB CCD ID: DAG
Number of entries in BioLiP: 2
Chemical formula: C6 H13 N O4
InChI: InChI=1S/C6H13NO4/c1-2-3(7)4(8)5(9)6(10)11-2/h2-6,8-10H,7H2,1H3/t2-,3-,4+,5-,6-/m1/s1
InChIKey: RJKBJEZZABBYBA-VFUOTHLCSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1N
CACTVS 3.341C[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1N
OpenEye OEToolkits 1.5.0C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)N
ACDLabs 10.04OC1C(N)C(OC(O)C1O)C
OpenEye OEToolkits 1.5.0CC1C(C(C(C(O1)O)O)O)N
Name:4-amino-4,6-dideoxy-beta-D-glucopyranose;
4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDE;
4-amino-4,6-dideoxy-beta-D-glucose;
4-amino-4,6-dideoxy-D-glucose;
4-amino-4,6-dideoxy-glucose
DrugBank: DB02469
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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