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BioLiP

PDB CCD ID: DFR
Number of entries in BioLiP: 1
Chemical formula: C7 H14 O5
InChI: InChI=1S/C7H14O5/c1-4-6(10)5(2-8)12-7(4,11)3-9/h4-6,8-11H,2-3H2,1H3/t4-,5+,6-,7+/m0/s1
InChIKey: DUZROZVFCQUFGS-BNHYGAARSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341C[CH]1[CH](O)[CH](CO)O[C]1(O)CO
OpenEye OEToolkits 1.5.0CC1C(C(OC1(CO)O)CO)O
OpenEye OEToolkits 1.5.0C[C@H]1[C@@H]([C@H](O[C@@]1(CO)O)CO)O
ACDLabs 10.04OCC1(O)OC(C(O)C1C)CO
CACTVS 3.341C[C@H]1[C@H](O)[C@@H](CO)O[C@]1(O)CO
Name:3-deoxy-3-methyl-beta-D-fructofuranose;
3-DEOXY-3-METHYL-D-FRUCTOSE;
3-deoxy-3-methyl-beta-D-fructose;
3-deoxy-3-methyl-fructose
ZINC: ZINC000024990681
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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