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BioLiP

PDB CCD ID: FDP
Number of entries in BioLiP: 87
Chemical formula: C6 H14 O12 P2
InChI: InChI=1S/C6H14O12P2/c7-2-6(18-20(13,14)15)5(9)4(8)3(17-6)1-16-19(10,11)12/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6+/m1/s1
InChIKey: YXWOAJXNVLXPMU-ZXXMMSQZSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=P(OC1(OC(C(O)C1O)COP(=O)(O)O)CO)(O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O
CACTVS 3.341OC[C]1(O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O)O[P](O)(O)=O
CACTVS 3.341OC[C@]1(O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H]1O)O[P](O)(O)=O
OpenEye OEToolkits 1.5.0C(C1C(C(C(O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O
Name:2,6-di-O-phosphono-beta-D-fructofuranose;
FRUCTOSE-2,6-DIPHOSPHATE;
2,6-di-O-phosphono-beta-D-fructose;
2,6-di-O-phosphono-D-fructose;
2,6-di-O-phosphono-fructose
ZINC: ZINC000004228295
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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