SC0

(6E,11E)-HEPTADECA-6,11-DIENE-9,9-DIYLBIS(PHOSPHONIC ACID)

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

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Chemical Details

Formal Charge0
Atom Count59
Chiral Atom Count0
Bond Count58
Aromatic Bond Count0
2D diagram of SC0
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Chemical Component Summary

Name(6E,11E)-HEPTADECA-6,11-DIENE-9,9-DIYLBIS(PHOSPHONIC ACID)
Systematic Name (OpenEye OEToolkits)[(6E,11E)-9-phosphonoheptadeca-6,11-dien-9-yl]phosphonic acid
FormulaC17 H34 O6 P2
Molecular Weight396.396
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=P(O)(O)C(C/C=C/CCCCC)(C/C=C/CCCCC)P(=O)(O)O
SMILESCACTVS3.341CCCCCC=CCC(CC=CCCCCC)([P](O)(O)=O)[P](O)(O)=O
SMILESOpenEye OEToolkits1.5.0CCCCCC=CCC(CC=CCCCCC)(P(=O)(O)O)P(=O)(O)O
Canonical SMILESCACTVS3.341 CCCCC\C=C\CC(C\C=C\CCCCC)([P](O)(O)=O)[P](O)(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 CCCCC\C=C\CC(C\C=C\CCCCC)(P(=O)(O)O)P(=O)(O)O
InChIInChI1.03 InChI=1S/C17H34O6P2/c1-3-5-7-9-11-13-15-17(24(18,19)20,25(21,22)23)16-14-12-10-8-6-4-2/h11-14H,3-10,15-16H2,1-2H3,(H2,18,19,20)(H2,21,22,23)/b13-11+,14-12+
InChIKeyInChI1.03 PFKBXXKNHWTTCS-PHEQNACWSA-N

Drug Info: DrugBank

DrugBank IDDB08529 
Name(6E,11E)-HEPTADECA-6,11-DIENE-9,9-DIYLBIS(PHOSPHONIC ACID)
Groups experimental
Synonyms(6E,11E)-HEPTADECA-6,11-DIENE-9,9-DIYLBIS(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
PubChem 25023881
ChEMBL CHEMBL494708