Chemical Component Summary

Name(2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate
Identifiers[(E)-3-methyl-4-oxidanyl-but-2-enyl] phosphono hydrogen phosphate
FormulaC5 H12 O8 P2
Molecular Weight262.092
TypeNON-POLYMER
Isomeric SMILESC/C(=C\CO[P@@](=O)(O)OP(=O)(O)O)/CO
InChIInChI=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+
InChIKeyMDSIZRKJVDMQOQ-GORDUTHDSA-N

Chemical Details

Formal Charge0
Atom Count27
Chiral Atom Count0
Bond Count26
Aromatic Bond Count0

Related Resource References

Resource NameReference
Pharos CHEMBL145233
PubChem 5281976
ChEMBL CHEMBL145233
ChEBI CHEBI:15664