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BioLiP

PDB CCD ID: RAH
Number of entries in BioLiP: 3
Chemical formula: C6 H13 O11 P S
InChI: InChI=1S/C6H13O11PS/c7-4-3(1-19(13,14)15)17-6(9,5(4)8)2-16-18(10,11)12/h3-5,7-9H,1-2H2,(H2,10,11,12)(H,13,14,15)/t3-,4-,5+,6-/m1/s1
InChIKey: IZVMCURFIBVEOJ-ARQDHWQXSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C(C1C(C(C(O1)(COP(=O)(O)O)O)O)O)S(=O)(=O)O
CACTVS 3.385O[C@H]1[C@H](O)[C@@](O)(CO[P](O)(O)=O)O[C@@H]1C[S](O)(=O)=O
CACTVS 3.385O[CH]1[CH](O)[C](O)(CO[P](O)(O)=O)O[CH]1C[S](O)(=O)=O
OpenEye OEToolkits 2.0.7C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)S(=O)(=O)O
Name:[(2~{S},3~{S},4~{S},5~{R})-3,4,5-tris(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]methanesulfonic acid;
6-deoxy-6-sulfo-D-fructose 1-phosphate
ZINC: ZINC000096095525
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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