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BioLiP

PDB CCD ID: P23
Number of entries in BioLiP: 4
Chemical formula: C3 H10 O7 P2
InChI: InChI=1S/C3H10O7P2/c1-2-3-9-12(7,8)10-11(4,5)6/h2-3H2,1H3,(H,7,8)(H2,4,5,6)
InChIKey: JCWMAIAFQQTSAX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CCCO[P@](O)(=O)O[P](O)(O)=O
ACDLabs 10.04O=P(O)(OP(=O)(OCCC)O)O
OpenEye OEToolkits 1.5.0CCCOP(=O)(O)OP(=O)(O)O
OpenEye OEToolkits 1.5.0CCCO[P@@](=O)(O)OP(=O)(O)O
CACTVS 3.341CCCO[P](O)(=O)O[P](O)(O)=O
Name:PROPYL TRIHYDROGEN DIPHOSPHATE
DrugBank: DB01679
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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