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BioLiP

PDB CCD ID: YO5
Number of entries in BioLiP: 1
Chemical formula: C7 H15 O8 P
InChI: InChI=1S/C7H15O8P/c8-1-3-5(9)7(11)6(10)4(15-3)2-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4+,5-,6+,7+/m1/s1
InChIKey: XRMRHVWWWWFMKR-UOYQFSTFSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC[CH]1O[CH](C[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.9.2C(C1C(C(C(C(O1)CP(=O)(O)O)O)O)O)O
OpenEye OEToolkits 1.9.2C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CP(=O)(O)O)O)O)O)O
ACDLabs 12.01O=P(O)(O)CC1OC(C(O)C(O)C1O)CO
CACTVS 3.385OC[C@H]1O[C@@H](C[P](O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1O
Name:(1R)-1,5-anhydro-1-(phosphonomethyl)-D-glucitol;
Beta-1 phosphonomethylene-D-glucopyranose
ZINC: ZINC000080898227
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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