Marvin  07151011012D          

 14 13  0  0  0  0            999 V2000
   16.3585   -5.2509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9297   -5.2509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6441   -4.0135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2152   -4.8384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0730   -4.0134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7875   -5.2509    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.5008   -5.2509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7863   -4.8384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0718   -5.2509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7862   -4.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0730   -4.8384    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   17.0731   -5.6633    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   15.6441   -4.8384    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   15.6441   -5.6635    0.0000 O   0  5  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  2  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  1  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
M  CHG  3   6  -1  12  -1  14  -1
M  END
> <ID>
CHEBI:128769

> <NAME>
isopentenyl diphosphate(3-)

> <DEFINITION>
An organophosphate oxoanion that is the trianion of isopentenyl diphosphate arising from deprotonation of the three OH groups of the diphosphate.

> <STAR>
3

> <SYNONYM>
isopentenyl pyrophosphate; isopentenyl diphosphate; 3-methylbut-3-enyl pyrophosphate; 3-methylbut-3-enyl diphosphate trianion; 3-methylbut-3-enyl diphosphate

> <IUPAC_NAME>
3-methylbut-3-en-1-yl diphosphate

> <FORMULA>
C5H9O7P2

> <MASS>
243.06830

> <MONOISOTOPIC_MASS>
242.98400

> <CHARGE>
-3

> <SMILES>
CC(=C)CCOP([O-])(=O)OP([O-])([O-])=O

> <INCHI>
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)/p-3

> <INCHIKEY>
NUHSROFQTUXZQQ-UHFFFAOYSA-K

> <BEILSTEIN_REGISTRY_NUMBER>
1824090

> <REAXYS_REGISTRY_NUMBER>
1824090

> <PUBMED_CITATION>
12657258; 9873578

$$$$