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BioLiP

PDB CCD ID: MBF
Number of entries in BioLiP: 1
Chemical formula: C6 H11 F O5
InChI: InChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2-,3+,4-,5-,6-/m1/s1
InChIKey: ZCXUVYAZINUVJD-AIECOIEWSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)F)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)F)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](F)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@@H](O)[C@@H](F)[C@@H](O)[C@@H]1O
ACDLabs 10.04FC1C(O)C(O)C(OC1O)CO
Name:2-deoxy-2-fluoro-beta-D-mannopyranose;
2-DEOXY-2-FLUORO-BETA-D-MANNOSE;
2-deoxy-2-fluoro-D-mannose;
2-deoxy-2-fluoro-mannose
ChEMBL: CHEMBL1234222
DrugBank: DB04483
ZINC: ZINC000004544633
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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