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BioLiP

PDB CCD ID: 0CH
Number of entries in BioLiP: 2
Chemical formula: C4 H12 O8 P2
InChI: InChI=1S/C4H12O8P2/c5-3-1-2-4-11-14(9,10)12-13(6,7)8/h5H,1-4H2,(H,9,10)(H2,6,7,8)
InChIKey: OLLDOFHGCGXIPA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370OCCCCO[P](O)(=O)O[P](O)(O)=O
OpenEye OEToolkits 1.7.6C(CCOP(=O)(O)OP(=O)(O)O)CO
ACDLabs 12.01O=P(O)(O)OP(=O)(OCCCCO)O
Name:4-hydroxybutyl trihydrogen diphosphate
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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