Marvin  07151010282D          

 15 14  0  0  0  0            999 V2000
   11.6177   -5.3206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1887   -5.3206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9032   -4.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4742   -4.9082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3322   -4.0831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0466   -5.3206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7598   -5.3206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0453   -4.9082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3308   -5.3206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0452   -4.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3322   -4.9082    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   12.3323   -5.7331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9032   -4.9082    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   10.9032   -5.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6163   -4.9081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 13  3  2  0  0  0  0
 11  5  2  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 11  6  1  0  0  0  0
  1 11  1  0  0  0  0
  2  4  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
 13  2  1  0  0  0  0
 13  1  1  0  0  0  0
  9 15  1  0  0  0  0
M  END
> <ID>
CHEBI:15664

> <NAME>
(2E)-4-hydroxy-3-methylbut-2-en-1-yl diphosphate

> <DEFINITION>
A prenol phosphate comprising (2E)-4-hydroxy-3-methylbut-2-en-1-ol having an O-diphosphate substituent.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:632; CHEBI:10952

> <SYNONYM>
HMBPP; 1-hydroxy-2-methylbut-2(E)-en-4-yl pyrophosphate; 1-hydroxy-2-methylbut-2(E)-en-4-yl diphosphate; 1-Hydroxy-2-methyl-2-butenyl 4-diphosphate; (E)-4-hydroxy-3-methylbut-2-enyl pyrophosphate; (E)-4-Hydroxy-3-methylbut-2-enyl diphosphate; (E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate; (E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate; (E)-4-hydroxy-3-methyl-2-buten-1-yl pyrophosphate; (E)-4-hydroxy-3-methyl-2-buten-1-yl diphosphate; (2E)-4-hydroxy-3-methylbut-2-en-1-yl pyrophosphate

> <IUPAC_NAME>
(2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate

> <FORMULA>
C5H12O8P2

> <MASS>
262.09150

> <MONOISOTOPIC_MASS>
262.00074

> <CHARGE>
0

> <SMILES>
C\C(CO)=C/COP(O)(=O)OP(O)(O)=O

> <INCHI>
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+

> <INCHIKEY>
MDSIZRKJVDMQOQ-GORDUTHDSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
9060574

> <REAXYS_REGISTRY_NUMBER>
9060574

> <KEGG_COMPOUND_ACCESSION>
C11811

> <KNAPSACK_ACCESSION>
C00007567

> <PDBECHEM_ACCESSION>
H6P

> <PUBMED_CITATION>
12203549; 12646635; 19919056; 23872678

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