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BioLiP

PDB CCD ID: HG3
Number of entries in BioLiP: 4
Chemical formula: C3 H9 O7 P
InChI: InChI=1S/C3H9O7P/c4-2(3(5)6)1-10-11(7,8)9/h2-6H,1H2,(H2,7,8,9)/t2-/m1/s1
InChIKey: TWWJQBIRJNUHBT-UWTATZPHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5C(C(C(O)O)O)OP(=O)(O)O
CACTVS 3.385OC(O)[CH](O)CO[P](O)(O)=O
CACTVS 3.385OC(O)[C@H](O)CO[P](O)(O)=O
OpenEye OEToolkits 2.0.5C([C@H](C(O)O)O)OP(=O)(O)O
Name:[(2~{R})-2,3,3-tris(oxidanyl)propyl] dihydrogen 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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