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BioLiP

PDB CCD ID: Z9M
Number of entries in BioLiP: 12
Chemical formula: C6 H14 N O8 P
InChI: InChI=1S/C6H14NO8P/c7-3-4(9)5(15-16(11,12)13)2(1-8)14-6(3)10/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6-/m1/s1
InChIKey: QWDBGVNDGYUIAC-QZABAPFNSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)N)O)OP(=O)(O)O)O
CACTVS 3.385N[CH]1[CH](O)O[CH](CO)[CH](O[P](O)(O)=O)[CH]1O
CACTVS 3.385N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[P](O)(O)=O)[C@@H]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)OP(=O)(O)O)O
ACDLabs 12.01O=P(O)(O)OC1C(OC(O)C(N)C1O)CO
Name:2-amino-2-deoxy-4-O-phosphono-beta-D-glucopyranose;
4-O-phosphono-beta-D-glucosamine;
2-amino-2-deoxy-4-O-phosphono-beta-D-glucose;
2-amino-2-deoxy-4-O-phosphono-D-glucose;
2-amino-2-deoxy-4-O-phosphono-glucose
DrugBank: DB02865
ZINC: ZINC000005830009
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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