028

(1-HYDROXYHEPTANE-1,1-DIYL)BIS(PHOSPHONIC ACID)

Created: 2007-06-28
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count34
Chiral Atom Count0
Bond Count33
Aromatic Bond Count0
2D diagram of 028
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Chemical Component Summary

Name(1-HYDROXYHEPTANE-1,1-DIYL)BIS(PHOSPHONIC ACID)
Systematic Name (OpenEye OEToolkits)(1-hydroxy-1-phosphono-heptyl)phosphonic acid
FormulaC7 H18 O7 P2
Molecular Weight276.161
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=P(O)(O)C(O)(CCCCCC)P(=O)(O)O
SMILESCACTVS3.341CCCCCCC(O)([P](O)(O)=O)[P](O)(O)=O
SMILESOpenEye OEToolkits1.5.0CCCCCCC(O)(P(=O)(O)O)P(=O)(O)O
Canonical SMILESCACTVS3.341 CCCCCCC(O)([P](O)(O)=O)[P](O)(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 CCCCCCC(O)(P(=O)(O)O)P(=O)(O)O
InChIInChI1.03 InChI=1S/C7H18O7P2/c1-2-3-4-5-6-7(8,15(9,10)11)16(12,13)14/h8H,2-6H2,1H3,(H2,9,10,11)(H2,12,13,14)
InChIKeyInChI1.03 IJEGNOYPWRBKAE-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB06830 
Name(1-HYDROXYHEPTANE-1,1-DIYL)BIS(PHOSPHONIC ACID)
Groups experimental
Synonyms(1-HYDROXYHEPTANE-1,1-DIYL)BIS(PHOSPHONIC ACID)

Drug Targets

NameTarget SequencePharmacological ActionActions
Geranylgeranyl pyrophosphate synthaseMEKTQETVQRILLEPYKYLLQLPGKQVRTKLSQAFNHWLKVPEDKLQIII...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
Pharos CHEMBL55264
PubChem 5276520
ChEMBL CHEMBL55264