Marvin  07090808542D          

 14 13  0  0  0  0            999 V2000
    1.4289   -0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    1.0541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1435    1.0539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.2292    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    2.1435   -0.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.2292    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    0.7145   -0.5959    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
M  END
> <ID>
CHEBI:16057

> <NAME>
prenyl diphosphate

> <DEFINITION>
A prenol phosphate that is a phosphoantigen comprising the O-pyrophosphate of prenol.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:12280; CHEBI:26245; CHEBI:23803; CHEBI:42074; CHEBI:8394; CHEBI:4616; CHEBI:18108; CHEBI:14883; CHEBI:14169; CHEBI:341937

> <SYNONYM>
Prenyl diphosphate; Prenol pyrophosphate; Monoprenyl diphosphate; DMAPP; DMAPP; Dimethylallyl pyrophosphate; Dimethylallyl pyrophosphate; DIMETHYLALLYL DIPHOSPHATE; Dimethylallyl diphosphate; delta2-Isopentenyl diphosphate; delta-Prenyl diphosphate; 3-methylbut-2-enyl phosphono hydrogen phosphate; 3,3-dimethylallyl pyrophosphate; 2-Isopentenyl diphosphate

> <IUPAC_NAME>
3-methylbut-2-en-1-yl trihydrogen diphosphate

> <FORMULA>
C5H12O7P2

> <MASS>
246.09210

> <MONOISOTOPIC_MASS>
246.00583

> <CHARGE>
0

> <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/h3H,4H2,1-2H3,(H,9,10)(H2,6,7,8)

> <INCHIKEY>
CBIDRCWHNCKSTO-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1713791

> <CAS_REGISTRY_NUMBER>
358-72-5

> <REAXYS_REGISTRY_NUMBER>
1713791

> <CHEMIDPLUS>
358-72-5

> <DRUGBANK_ACCESSION>
DB01785

> <KEGG_COMPOUND_ACCESSION>
C00235

> <KNAPSACK_ACCESSION>
C00007294

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPR01010001

> <PDBECHEM_ACCESSION>
DMA

> <PUBMED_CITATION>
10608778; 11355861; 22300296; 23262281; 27356974

$$$$