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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

BioLiP

PDB CCD ID: RB8
Number of entries in BioLiP: 8
Chemical formula: C6 H12 O8 S
InChI: InChI=1S/C6H12O8S/c7-2-6(10)5(9)4(8)3(14-6)1-15(11,12)13/h3-5,7-10H,1-2H2,(H,11,12,13)/t3-,4-,5+,6-/m1/s1
InChIKey: QTQNAYQDKCBJTC-ARQDHWQXSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC[C]1(O)O[CH](C[S](O)(=O)=O)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.7C(C1C(C(C(O1)(CO)O)O)O)S(=O)(=O)O
OpenEye OEToolkits 2.0.7C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)S(=O)(=O)O
CACTVS 3.385OC[C@@]1(O)O[C@H](C[S](O)(=O)=O)[C@@H](O)[C@@H]1O
Name:6-deoxy-6-sulfo-D-fructose;
[(2~{S},3~{S},4~{S},5~{R})-5-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxolan-2-yl]methanesulfonic acid
ZINC: ZINC000096095523

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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