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BioLiP

PDB CCD ID: MQG
Number of entries in BioLiP: 6
Chemical formula: C7 H16 N O7 P
InChI: InChI=1S/C7H16NO7P/c1-16(13,14)8-4-6(11)5(10)3(2-9)15-7(4)12/h3-7,9-12H,2H2,1H3,(H2,8,13,14)/t3-,4-,5-,6-,7-/m1/s1
InChIKey: LKDVLOHRQALDHT-NYMZXIIRSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[P](O)(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O
CACTVS 3.385C[P](O)(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.4CP(=O)(NC1C(C(C(OC1O)CO)O)O)O
OpenEye OEToolkits 2.0.4CP(=O)(N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O)O
Name:2-deoxy-2-{[(S)-hydroxy(methyl)phosphoryl]amino}-beta-D-glucopyranose;
~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]-methyl-phosphonamidic acid;
2-deoxy-2-{[(S)-hydroxy(methyl)phosphoryl]amino}-beta-D-glucose;
2-deoxy-2-{[(S)-hydroxy(methyl)phosphoryl]amino}-D-glucose;
2-deoxy-2-{[(S)-hydroxy(methyl)phosphoryl]amino}-glucose
ZINC: ZINC000584905624
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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