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BioLiP

PDB CCD ID: 44S
Number of entries in BioLiP: 2
Chemical formula: C6 H13 O8 P
InChI: InChI=1S/C6H13O8P/c7-3-1-5(9)14-6(3)4(8)2-13-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4-,5-,6-/m1/s1
InChIKey: YKPKUODDXPUHGL-KVTDHHQDSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O[CH]1C[CH](O)[CH](O1)[CH](O)CO[P](O)(O)=O
CACTVS 3.385O[C@H]1C[C@@H](O)[C@@H](O1)[C@H](O)CO[P](O)(O)=O
ACDLabs 12.01O=P(O)(O)OCC(O)C1OC(O)CC1O
OpenEye OEToolkits 1.7.6C1[C@H]([C@@H](O[C@H]1O)[C@@H](COP(=O)(O)O)O)O
OpenEye OEToolkits 1.7.6C1C(C(OC1O)C(COP(=O)(O)O)O)O
Name:2-deoxy-6-O-phosphono-beta-D-lyxo-hexofuranose;
tagatose-6-phosphate, bound form;
2-deoxy-6-O-phosphono-beta-D-lyxo-hexose;
2-deoxy-6-O-phosphono-D-lyxo-hexose;
2-deoxy-6-O-phosphono-lyxo-hexose
ZINC: ZINC000263621282
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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