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BioLiP

PDB CCD ID: 0CN
Number of entries in BioLiP: 2
Chemical formula: C4 H8 O7 P2
InChI: InChI=1S/C4H8O7P2/c1-2-3-4-10-13(8,9)11-12(5,6)7/h3H,1,4H2,(H,8,9)(H2,5,6,7)
InChIKey: SBJIRHJBHHXSDO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C=C=CCOP(=O)(O)OP(=O)(O)O
CACTVS 3.370O[P](O)(=O)O[P](O)(=O)OC[CH]=[C]=[CH2]
ACDLabs 12.01O=P(O)(O)OP(=O)(OC\C=C=C)O
Name:buta-2,3-dien-1-yl trihydrogen diphosphate
ZINC: ZINC000098207791
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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