Marvin  07150816482D          

 24 23  0  0  0  0            999 V2000
   -2.1434    0.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.2241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.2241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -0.2241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    0.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    0.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.1884    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    5.0013    0.1884    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    3.5723    1.0134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.0133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    1.0133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    1.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5723   -0.6367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.6366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  1  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8 20  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11  1  2  0  0  0  0
 10 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 22  1  0  0  0  0
 14 15  1  0  0  0  0
 16  4  1  0  0  0  0
 16  3  1  0  0  0  0
 16 18  2  0  0  0  0
 16 23  1  0  0  0  0
 17  6  1  0  0  0  0
  3 17  1  0  0  0  0
 17 19  2  0  0  0  0
 17 24  1  0  0  0  0
M  END
> <ID>
CHEBI:17407

> <NAME>
2-trans,6-trans-farnesyl diphosphate

> <DEFINITION>
The trans,trans-stereoisomer of farnesyl diphosphate.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:12874; CHEBI:11491; CHEBI:42496; CHEBI:10700; CHEBI:11488; CHEBI:12854; CHEBI:19789

> <SYNONYM>
trans-trans-farnesyl diphosphate; trans,trans-farnesyl diphosphate; trans,trans-Farnesyl diphosphate; trans,trans-farnesyl diphosphate; Farnesyl pyrophosphate; FARNESYL DIPHOSPHATE; Farnesyl diphosphate; all-trans-farnesyl pyrophosphate; 2-trans,6-trans-farnesyl pyrophosphate; 2-trans,6-trans-Farnesyl diphosphate; 2-trans,6-trans-farnesyl diphosphate; (E,E)-farnesyl pyrophosphate; (all-E)-farnesyl diphosphate; (2E,6E)-farnesyl pyrophosphate; (2E,6E)-Farnesyl diphosphate; (2E,6E)-farnesyl diphosphate; (2E,6E)-farnesol diphosphate

> <IUPAC_NAME>
(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate

> <FORMULA>
C15H28O7P2

> <MASS>
382.32610

> <MONOISOTOPIC_MASS>
382.13103

> <CHARGE>
0

> <SMILES>
CC(C)=CCC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O

> <INCHI>
InChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+,15-11+

> <INCHIKEY>
VWFJDQUYCIWHTN-YFVJMOTDSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
2482197

> <CAS_REGISTRY_NUMBER>
13058-04-3

> <REAXYS_REGISTRY_NUMBER>
2482197

> <CHEMIDPLUS>
372-97-4

> <KEGG_COMPOUND_ACCESSION>
C00448

> <KNAPSACK_ACCESSION>
C00007268

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPR0103010002

> <PDBECHEM_ACCESSION>
FPP

> <PUBMED_CITATION>
7753173

$$$$