Marvin  07151010402D          

 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  0  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  0  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  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  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  END
> <ID>
CHEBI:16584

> <NAME>
isopentenyl diphosphate

> <DEFINITION>
A prenol phosphate comprising 3-methylbut-3-en-1-ol having an O-diphosphate substituent.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:14473; CHEBI:6037; CHEBI:24907

> <SYNONYM>
Mono(3-methyl-3-butenyl) diphosphate; Isopentenyl pyrophosphate; Isopentenyl diphosphate; IPPP; IPP; Diphosphoric acid mono(3-methyl-3-butenyl) ester; delta3-Methyl-3-butenyl diphosphate; delta3-Isopentenyl diphosphate; delta3-isopentenyl diphosphate; delta-3-Isopentenyl pyrophosphate; 3-methylbut-3-enyl phosphono hydrogen phosphate; 3-methylbut-3-en-1-yl trihydrogen diphosphate; 3-Methyl-3-butenyl pyrophosphate

> <IUPAC_NAME>
3-methylbut-3-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/h1,3-4H2,2H3,(H,9,10)(H2,6,7,8)

> <INCHIKEY>
NUHSROFQTUXZQQ-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1713792

> <CAS_REGISTRY_NUMBER>
358-71-4

> <REAXYS_REGISTRY_NUMBER>
1713792

> <CHEMIDPLUS>
358-71-4

> <DRUGBANK_ACCESSION>
DB04714

> <KEGG_COMPOUND_ACCESSION>
C00129

> <KNAPSACK_ACCESSION>
C00000848

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPR01010008

> <PDBECHEM_ACCESSION>
IPE

> <WIKIPEDIA_ACCESSION>
Isopentenyl pyrophosphate

> <PUBMED_CITATION>
11278429; 15450402; 23000003; 23543734; 23747531; 23872678; 7584140; 7753173

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