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BioLiP

PDB CCD ID: 26T
Number of entries in BioLiP: 10
Chemical formula: C5 H9 O7 P
InChI: InChI=1S/C5H9O7P/c1-3(6)5(8)4(7)2-12-13(9,10)11/h5,8H,2H2,1H3,(H2,9,10,11)/t5-/m1/s1
InChIKey: AKHNGSPNHAFBII-RXMQYKEDSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(=O)[C@@H](O)C(=O)CO[P](O)(O)=O
ACDLabs 12.01O=P(OCC(=O)C(O)C(=O)C)(O)O
CACTVS 3.385CC(=O)[CH](O)C(=O)CO[P](O)(O)=O
OpenEye OEToolkits 1.9.2CC(=O)C(C(=O)COP(=O)(O)O)O
OpenEye OEToolkits 1.9.2CC(=O)[C@H](C(=O)COP(=O)(O)O)O
Name:(3R)-3-hydroxy-2,4-dioxopentyl dihydrogen phosphate
ZINC: ZINC000100189888
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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