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BioLiP

PDB CCD ID: P22
Number of entries in BioLiP: 0
Chemical formula: C2 H8 O7 P2
InChI: InChI=1S/C2H8O7P2/c1-2-8-11(6,7)9-10(3,4)5/h2H2,1H3,(H,6,7)(H2,3,4,5)
InChIKey: OJDJHGIXNZPZFD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CCO[P@@](O)(=O)O[P](O)(O)=O
CACTVS 3.341CCO[P](O)(=O)O[P](O)(O)=O
OpenEye OEToolkits 1.5.0CCOP(=O)(O)OP(=O)(O)O
OpenEye OEToolkits 1.5.0CCO[P@](=O)(O)OP(=O)(O)O
ACDLabs 10.04O=P(OP(=O)(O)OCC)(O)O
Name:ETHYL DIHYDROGEN DIPHOSPHATE
DrugBank: DB01798
ZINC: ZINC000012501104
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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