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BioLiP

PDB CCD ID: N46
Number of entries in BioLiP: 1
Chemical formula: C5 H9 O7 P
InChI: InChI=1S/C5H9O7P/c1-3(6)5(8)4(7)2-12-13(9,10)11/h4,7H,2H2,1H3,(H2,9,10,11)/t4-/m1/s1
InChIKey: DTZHMTDUIGHESZ-SCSAIBSYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(=O)C(=O)C(COP(=O)(O)O)O
OpenEye OEToolkits 2.0.7CC(=O)C(=O)[C@@H](COP(=O)(O)O)O
CACTVS 3.385CC(=O)C(=O)[CH](O)CO[P](O)(O)=O
ACDLabs 12.01O=P(O)(O)OCC(O)C(=O)C(C)=O
CACTVS 3.385CC(=O)C(=O)[C@H](O)CO[P](O)(O)=O
Name:(2R)-2-hydroxy-3,4-dioxopentyl dihydrogen phosphate
ZINC: ZINC000100200037
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)(download the PDF file).
  • 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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