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BioLiP

PDB CCD ID: 4R1
Number of entries in BioLiP: 1
Chemical formula: C6 H14 N O8 P
InChI: InChI=1S/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6-/m1/s1
InChIKey: XHMJOUIAFHJHBW-QZABAPFNSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[CH]1[CH](O)O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O
OpenEye OEToolkits 1.9.2C(C1C(C(C(C(O1)O)N)O)O)OP(=O)(O)O
CACTVS 3.385N[C@H]1[C@H](O)O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H]1O
ACDLabs 12.01C1(C(C(O)C(COP(O)(O)=O)OC1O)O)N
OpenEye OEToolkits 1.9.2C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)OP(=O)(O)O
Name:2-amino-2-deoxy-6-O-phosphono-beta-D-glucopyranose;
beta-glucosamine-6-phosphate;
6-O-phosphono-beta-D-glucosamine;
2-amino-2-deoxy-6-O-phosphono-beta-D-glucose;
2-amino-2-deoxy-6-O-phosphono-D-glucose;
2-amino-2-deoxy-6-O-phosphono-glucose
ChEMBL: CHEMBL2448885
ZINC: ZINC000004097102
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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