Structure Database (LMSD)

Common Name
(2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate
Systematic Name
(2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate
Synonyms
  • (2E)-4-hydroxy-3-methylbut-2-en-1-yl diphosphate
  • (E)-4-Hydroxy-3-methylbut-2-enyl diphosphate
  • 1-Hydroxy-2-methyl-2-butenyl 4-diphosphate
LM ID
LMPR01010009
Formula
C5H12O8P2
Exact Mass
Calculate m/z
262.000746
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C5 isoprenoids (hemiterpenes) [PR0101]

String Representations

InChiKey (Click to copy)
MDSIZRKJVDMQOQ-GORDUTHDSA-N
InChi (Click to copy)
InChI=1S/C5H12O8P2/c1-5(4-6)2-3-12-15(10,11)13-14(7,8)9/h2,6H,3-4H2,1H3,(H,10,11)(H2,7,8,9)/b5-2+
SMILES (Click to copy)
C(O)/C(/C)=C/COP(OP(O)(O)=O)(O)=O

Other Databases

KEGG ID
C11811
CHEBI ID
15664
PubChem CID
5281976
PDB ID
H6P

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 202.40
Topological Polar Surface Area 133.52
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 8
logP 1.23
Molar Refractivity 50.32

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Updated at
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