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BioLiP

PDB CCD ID: 0K2
Number of entries in BioLiP: 2
Chemical formula: C4 H10 O8 P2
InChI: InChI=1S/C4H10O8P2/c5-3-1-2-4-11-14(9,10)12-13(6,7)8/h3H,1-2,4H2,(H,9,10)(H2,6,7,8)
InChIKey: NNKWBPRTAQVCDC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370O[P](O)(=O)O[P](O)(=O)OCCCC=O
ACDLabs 12.01O=P(O)(O)OP(=O)(OCCCC=O)O
OpenEye OEToolkits 1.7.6C(CC=O)COP(=O)(O)OP(=O)(O)O
Name:4-oxobutyl trihydrogen diphosphate
ZINC: ZINC000038159031
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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