IPR

ISOPENTYL PYROPHOSPHATE

Created:	2003-12-16
Last modified:	2011-06-04

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11 entries where IPR is found as a standalone ligand

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

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Chemical Component Summary
Name	ISOPENTYL PYROPHOSPHATE
Systematic Name (OpenEye OEToolkits)	3-methylbutyl 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)(O)O)(OCCC(C)C)O
SMILES	CACTVS	3.341	CC(C)CCO[P](O)(=O)O[P](O)(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CC(C)CCOP(=O)(O)OP(=O)(O)O
Canonical SMILES	CACTVS	3.341	CC(C)CCO[P@](O)(=O)O[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(C)CCO[P@@](=O)(O)OP(=O)(O)O
InChI	InChI	1.03	InChI=1S/C5H14O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h5H,3-4H2,1-2H3,(H,9,10)(H2,6,7,8)
InChIKey	InChI	1.03	IPFXNYPSBSIFOB-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB02508
Name	Isopentyl Pyrophosphate
Groups	experimental
Synonyms	Isopentyl Pyrophosphate

Drug Targets

Name	Target Sequence	Pharmacological Action
Farnesyl pyrophosphate synthase	MPLSRWLRSVGVFLLPAPYWAPRERWLGSLRRPSLVHGYPVLAWHSARCW...	unknown
Pentaerythritol tetranitrate reductase	MSAEKLFTPLKVGAVTAPNRVFMAPLTRLRSIEPGDIPTPLMGEYYRQRA...	unknown
Geranyltranstransferase (Farnesyldiphosphate synthase)	MDFPQQLEACVKQANQALSRFIAPLPFQNTPVVETMQYGALLGGKRLRPF...	unknown
Farnesyl diphosphate synthase	MDFPQQLEACVKQANQALSRFIAPLPFQNTPVVETMQYGALLGGKRLRPF...	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