Structure Database (LMSD)

Common Name
Isopentenyl pyrophosphate
Systematic Name
3-methylbut-3-enyl pyrophosphate
Synonyms
  • Isopentenyl-diphosphate
  • IPP
LM ID
LMPR01010008
Status
Active
Exact Mass
Calculate m/z
246.005831
Formula


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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
NUHSROFQTUXZQQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h1,3-4H2,2H3,(H,9,10)(H2,6,7,8)
SMILES (Click to copy)
O(P(=O)(O)OP(O)(=O)O)CCC(C)=C

References

Other Databases

Wikipedia
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
SwissLipids ID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 193.61
Topological Polar Surface Area 113.29
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 1.98
Molar Refractivity 48.42

Reactions

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Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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Reactions graph legend

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Created at
-
Updated at
9th Jun 2022