P25

PENTYL TRIHYDROGEN DIPHOSPHATE

Created:	2004-07-01
Last modified:	2011-06-04

Find Related PDB Entry
2 entries where P25 is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	1
Bond Count	27
Aromatic Bond Count	0

2D diagram of P25

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	PENTYL TRIHYDROGEN DIPHOSPHATE
Systematic Name (OpenEye OEToolkits)	pentyl phosphono hydrogen phosphate
Formula	C₅ H₁₄ O₇ P₂
Molecular Weight	248.108
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(OP(=O)(OCCCCC)O)(O)O
SMILES	CACTVS	3.341	CCCCCO[P](O)(=O)O[P](O)(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CCCCCOP(=O)(O)OP(=O)(O)O
Canonical SMILES	CACTVS	3.341	CCCCCO[P@](O)(=O)O[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCO[P@@](=O)(O)OP(=O)(O)O
InChI	InChI	1.03	InChI=1S/C5H14O7P2/c1-2-3-4-5-11-14(9,10)12-13(6,7)8/h2-5H2,1H3,(H,9,10)(H2,6,7,8)
InChIKey	InChI	1.03	VFFCVKZHJFIUBM-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB02707
Name	Pentyl Trihydrogen Diphosphate
Groups	experimental
Synonyms	Pentyl Trihydrogen Diphosphate

Related Resource References

Resource Name	Reference
PubChem	448673

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.