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BioLiP

PDB CCD ID: CU7
Number of entries in BioLiP: 7
Chemical formula: C6 H15 O8 P
InChI: InChI=1S/C6H15O8P/c7-1-5(9)3-13-15(11,12)14-4-6(10)2-8/h5-10H,1-4H2,(H,11,12)/t5-,6+
InChIKey: LLCSXHMJULHSJN-OLQVQODUSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC[C@H](O)CO[P](O)(=O)OC[C@H](O)CO
ACDLabs 12.01C(C(COP(OCC(CO)O)(O)=O)O)O
CACTVS 3.385OC[CH](O)CO[P](O)(=O)OC[CH](O)CO
OpenEye OEToolkits 2.0.6C(C(COP(=O)(O)OCC(CO)O)O)O
OpenEye OEToolkits 2.0.6C([C@H](COP(=O)(O)OC[C@H](CO)O)O)O
Name:(2R)-2,3-dihydroxypropyl (2S)-2,3-dihydroxypropyl hydrogen phosphate
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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