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BioLiP

PDB CCD ID: N4O
Number of entries in BioLiP: 1
Chemical formula: C4 H9 O6 P
InChI: InChI=1S/C4H9O6P/c1-3(5)4(6)2-10-11(7,8)9/h4,6H,2H2,1H3,(H2,7,8,9)/t4-/m1/s1
InChIKey: OKYHYXLCTGGOLM-SCSAIBSYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(=O)C(COP(=O)(O)O)O
CACTVS 3.385CC(=O)[C@H](O)CO[P](O)(O)=O
CACTVS 3.385CC(=O)[CH](O)CO[P](O)(O)=O
OpenEye OEToolkits 2.0.7CC(=O)[C@@H](COP(=O)(O)O)O
ACDLabs 12.01O=P(O)(O)OCC(O)C(C)=O
Name:(2R)-2-hydroxy-3-oxobutyl dihydrogen phosphate
ZINC: ZINC000030729405
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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