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BioLiP

PDB CCD ID: OD0
Number of entries in BioLiP: 4
Chemical formula: C6 H9 F O3
InChI: InChI=1S/C6H9FO3/c7-3-1-2-4(8)6(10)5(3)9/h1-6,8-10H/t3-,4-,5+,6+/m0/s1
InChIKey: DGGHLTXNAWHUTK-UNTFVMJOSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O[C@H]1C=C[C@H](F)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 3.1.0.0C1=CC(C(C(C1O)O)O)F
OpenEye OEToolkits 3.1.0.0C1=C[C@@H]([C@H]([C@@H]([C@H]1O)O)O)F
CACTVS 3.385O[CH]1C=C[CH](F)[CH](O)[CH]1O
Name:(1~{S},2~{R},3~{S},6~{S})-6-fluoranylcyclohex-4-ene-1,2,3-triol
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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