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BioLiP

PDB CCD ID: YX1
Number of entries in BioLiP: 2
Chemical formula: C8 H17 N3 O7
InChI: InChI=1S/C8H17N3O7/c1-11(10-17)8(16)9-4-6(14)5(13)3(2-12)18-7(4)15/h3-7,10,12-15,17H,2H2,1H3,(H,9,16)/t3-,4-,5-,6-,7-/m1/s1
InChIKey: LUNQAAUVSFIVKD-NYMZXIIRSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CN(NO)C(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O
ACDLabs 10.04O=C(NC1C(O)C(O)C(OC1O)CO)N(NO)C
OpenEye OEToolkits 1.5.0CN(C(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O)NO
OpenEye OEToolkits 1.5.0CN(C(=O)NC1C(C(C(OC1O)CO)O)O)NO
CACTVS 3.341CN(NO)C(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O
Name:2-deoxy-2-{[(2-hydroxy-1-methylhydrazino)carbonyl]amino}-beta-D-glucopyranose;
2-deoxy-2-{[(2-hydroxy-1-methylhydrazino)carbonyl]amino}-beta-D-glucose;
2-deoxy-2-{[(2-hydroxy-1-methylhydrazino)carbonyl]amino}-D-glucose;
2-deoxy-2-{[(2-hydroxy-1-methylhydrazino)carbonyl]amino}-glucose
ZINC: ZINC000058649729
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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