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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2021-09-24 07:04:44 UTC

Update Date

2021-09-24 07:04:44 UTC

HMDB ID

HMDB0304088

Secondary Accession Numbers

None

Metabolite Identification

Common Name

2-trans,-6-trans-farnesyl monophosphate

Description

2-trans,-6-trans-farnesyl monophosphate, also known as (2e,6e)-farnesyl phosphate or (2e,6e)-farnesol monophosphoric acid(2-), is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. 2-trans,-6-trans-farnesyl monophosphate is practically insoluble (in water) and a moderately acidic compound (based on its pKa). 2-trans,-6-trans-farnesyl monophosphate can be found in a number of food items such as opium poppy, papaya, pepper (c. frutescens), and corn, which makes 2-trans,-6-trans-farnesyl monophosphate a potential biomarker for the consumption of these food products.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0304088
     RDKit          3D
2-trans,-6-trans-farnesyl monophosphate
 45 44  0  0  0  0  0  0  0  0999 V2000
   -5.3299    1.0734   -0.3087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8253   -0.2917    0.1185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5698   -1.4955   -0.1707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7234   -0.2895    0.9046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1094    0.9449    1.3067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6278    1.1284    1.3073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8245    1.0666    0.1361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2970    0.7166   -1.2267 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5040    1.3728    0.3268 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3031    1.2991   -1.0109 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5235   -0.1796   -1.1443 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5836   -0.8177   -0.2940 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2829   -2.2677    0.0447 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5775   -0.2646    0.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7142   -0.9513    1.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6381   -0.8870    0.1475 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0242   -0.2863   -0.1763 P   0  0  0  0  0  5  0  0  0  0  0  0
    6.7629    0.4585   -1.6571 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3005   -1.2600   -0.5652 O   0  0  0  0  0  1  0  0  0  0  0  0
    7.5460    1.0538    0.7614 O   0  0  0  0  0  1  0  0  0  0  0  0
   -6.1428    0.9647   -1.0837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5657    1.7637   -0.6811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8549    1.4938    0.5717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0739   -1.7148    0.8726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4563   -1.3837   -0.8388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9808   -2.4262   -0.3578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3545   -1.2762    1.1539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6522    1.8461    0.9365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4207    1.0083    2.4613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1357    0.4907    2.1049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4730    2.1708    1.7554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6246    0.9039   -2.0357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6321   -0.3454   -1.3215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2104    1.3623   -1.4461 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9423    1.6697    1.2169 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2801    1.8481   -0.7537 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9082    1.7757   -1.8247 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7864   -0.4573   -2.1831 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6031   -0.7191   -0.8915 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3039   -2.2919    0.4967 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0896   -2.7669    0.5589 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2132   -2.7112   -0.9900 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9304    0.7299   -0.1527 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7483   -0.2069    1.8692 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3188   -1.8512    1.4591 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 17 20  1  0
  1 21  1  0
  1 22  1  0
  1 23  1  0
  3 24  1  0
  3 25  1  0
  3 26  1  0
  4 27  1  0
  5 28  1  0
  5 29  1  0
  6 30  1  0
  6 31  1  0
  8 32  1  0
  8 33  1  0
  8 34  1  0
  9 35  1  0
 10 36  1  0
 10 37  1  0
 11 38  1  0
 11 39  1  0
 13 40  1  0
 13 41  1  0
 13 42  1  0
 14 43  1  0
 15 44  1  0
 15 45  1  0
M  CHG  2  19  -1  20  -1
M  END


  Mrv1533007131514082D          

 22 21  0  0  0  0            999 V2000
   -5.3625   -3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3625   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8875   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7125   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1250   -2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8875   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9500   -2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875    2.1434    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.1895    1.0164    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.7605    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -2.1434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  7  5  1  0  0  0  0
  8  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10  6  1  0  0  0  0
 12 11  1  0  0  0  0
 13  1  1  0  0  0  0
 13  2  1  0  0  0  0
 13  7  2  0  0  0  0
 14  3  1  0  0  0  0
 14  8  1  0  0  0  0
 14  9  2  0  0  0  0
 15  4  1  0  0  0  0
 15 10  1  0  0  0  0
 15 11  2  0  0  0  0
 19 12  1  0  0  0  0
 20 16  1  0  0  0  0
 20 17  1  0  0  0  0
 20 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21  9  1  0  0  0  0
 22 11  1  0  0  0  0
M  CHG  2  16  -1  17  -1
M  END
> <DATABASE_ID>
HMDB0304088

> <DATABASE_NAME>
hmdb

> <SMILES>
[H]\C(CC\C(C)=C(/[H])COP([O-])([O-])=O)=C(\C)CCC=C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C15H27O4P/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-19-20(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H2,16,17,18)/p-2/b14-9+,15-11+

> <INCHI_KEY>
ALEWCKXBHSDCCT-YFVJMOTDSA-L

> <FORMULA>
C15H25O4P

> <MOLECULAR_WEIGHT>
300.336

> <EXACT_MASS>
300.150143443

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
45

> <JCHEM_AVERAGE_POLARIZABILITY>
32.759833230010486

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
-2

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl phosphate

> <ALOGPS_LOGP>
4.04

> <JCHEM_LOGP>
4.038531539666666

> <ALOGPS_LOGS>
-3.12

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.811862989729707

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.785397553289238

> <JCHEM_POLAR_SURFACE_AREA>
72.42

> <JCHEM_REFRACTIVITY>
83.61419999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.56e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl phosphate

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0304088
     RDKit          3D
2-trans,-6-trans-farnesyl monophosphate
 45 44  0  0  0  0  0  0  0  0999 V2000
   -5.3299    1.0734   -0.3087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8253   -0.2917    0.1185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5698   -1.4955   -0.1707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7234   -0.2895    0.9046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1094    0.9449    1.3067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6278    1.1284    1.3073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8245    1.0666    0.1361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2970    0.7166   -1.2267 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5040    1.3728    0.3268 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3031    1.2991   -1.0109 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5235   -0.1796   -1.1443 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5836   -0.8177   -0.2940 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2829   -2.2677    0.0447 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5775   -0.2646    0.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7142   -0.9513    1.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6381   -0.8870    0.1475 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0242   -0.2863   -0.1763 P   0  0  0  0  0  5  0  0  0  0  0  0
    6.7629    0.4585   -1.6571 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3005   -1.2600   -0.5652 O   0  0  0  0  0  1  0  0  0  0  0  0
    7.5460    1.0538    0.7614 O   0  0  0  0  0  1  0  0  0  0  0  0
   -6.1428    0.9647   -1.0837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5657    1.7637   -0.6811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8549    1.4938    0.5717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0739   -1.7148    0.8726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4563   -1.3837   -0.8388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9808   -2.4262   -0.3578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3545   -1.2762    1.1539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6522    1.8461    0.9365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4207    1.0083    2.4613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1357    0.4907    2.1049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4730    2.1708    1.7554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6246    0.9039   -2.0357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6321   -0.3454   -1.3215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2104    1.3623   -1.4461 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9423    1.6697    1.2169 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2801    1.8481   -0.7537 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9082    1.7757   -1.8247 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7864   -0.4573   -2.1831 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6031   -0.7191   -0.8915 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3039   -2.2919    0.4967 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0896   -2.7669    0.5589 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2132   -2.7112   -0.9900 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9304    0.7299   -0.1527 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7483   -0.2069    1.8692 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3188   -1.8512    1.4591 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 17 20  1  0
  1 21  1  0
  1 22  1  0
  1 23  1  0
  3 24  1  0
  3 25  1  0
  3 26  1  0
  4 27  1  0
  5 28  1  0
  5 29  1  0
  6 30  1  0
  6 31  1  0
  8 32  1  0
  8 33  1  0
  8 34  1  0
  9 35  1  0
 10 36  1  0
 10 37  1  0
 11 38  1  0
 11 39  1  0
 13 40  1  0
 13 41  1  0
 13 42  1  0
 14 43  1  0
 15 44  1  0
 15 45  1  0
M  CHG  2  19  -1  20  -1
M  END

HEADER    PROTEIN                                 13-JUL-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   13-JUL-15         0                                  
HETATM    1  C   UNK     0     -10.010  -6.668   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -10.010  -4.001   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -5.390  -1.334   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.770   1.334   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -6.930  -4.001   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.310  -1.334   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -7.700  -5.335   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -5.390  -4.001   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -3.080  -2.667   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.770  -1.334   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.540   0.000   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.310   1.334   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -9.240  -5.335   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -4.620  -2.667   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       5.390   4.001   0.000  0.00  0.00           O-1
HETATM   17  O   UNK     0       5.954   1.897   0.000  0.00  0.00           O-1
HETATM   18  O   UNK     0       3.286   3.437   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       3.850   1.334   0.000  0.00  0.00           O+0
HETATM   20  P   UNK     0       4.620   2.667   0.000  0.00  0.00           P+0
HETATM   21  H   UNK     0      -2.310  -4.001   0.000  0.00  0.00           H+0
HETATM   22  H   UNK     0       2.310  -1.334   0.000  0.00  0.00           H+0
CONECT    1   13                                                            
CONECT    2   13                                                            
CONECT    3   14                                                            
CONECT    4   15                                                            
CONECT    5    7    8                                                       
CONECT    6    9   10                                                       
CONECT    7    5   13                                                       
CONECT    8    5   14                                                       
CONECT    9    6   14   21                                                  
CONECT   10    6   15                                                       
CONECT   11   12   15   22                                                  
CONECT   12   11   19                                                       
CONECT   13    1    2    7                                                  
CONECT   14    3    8    9                                                  
CONECT   15    4   10   11                                                  
CONECT   16   20                                                            
CONECT   17   20                                                            
CONECT   18   20                                                            
CONECT   19   12   20                                                       
CONECT   20   16   17   18   19                                             
CONECT   21    9                                                            
CONECT   22   11                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   42    0
END

COMPND    HMDB0304088
HETATM    1  C1  UNL     1      -5.330   1.073  -0.309  1.00  0.00           C  
HETATM    2  C2  UNL     1      -4.825  -0.292   0.118  1.00  0.00           C  
HETATM    3  C3  UNL     1      -5.570  -1.496  -0.171  1.00  0.00           C  
HETATM    4  C4  UNL     1      -3.723  -0.290   0.905  1.00  0.00           C  
HETATM    5  C5  UNL     1      -3.109   0.945   1.307  1.00  0.00           C  
HETATM    6  C6  UNL     1      -1.628   1.128   1.307  1.00  0.00           C  
HETATM    7  C7  UNL     1      -0.824   1.067   0.136  1.00  0.00           C  
HETATM    8  C8  UNL     1      -1.297   0.717  -1.227  1.00  0.00           C  
HETATM    9  C9  UNL     1       0.504   1.373   0.327  1.00  0.00           C  
HETATM   10  C10 UNL     1       1.303   1.299  -1.011  1.00  0.00           C  
HETATM   11  C11 UNL     1       1.523  -0.180  -1.144  1.00  0.00           C  
HETATM   12  C12 UNL     1       2.584  -0.818  -0.294  1.00  0.00           C  
HETATM   13  C13 UNL     1       2.283  -2.268   0.045  1.00  0.00           C  
HETATM   14  C14 UNL     1       3.578  -0.265   0.112  1.00  0.00           C  
HETATM   15  C15 UNL     1       4.714  -0.951   1.054  1.00  0.00           C  
HETATM   16  O1  UNL     1       5.638  -0.887   0.148  1.00  0.00           O  
HETATM   17  P1  UNL     1       7.024  -0.286  -0.176  1.00  0.00           P  
HETATM   18  O2  UNL     1       6.763   0.458  -1.657  1.00  0.00           O  
HETATM   19  O3  UNL     1       8.300  -1.260  -0.565  1.00  0.00           O1-
HETATM   20  O4  UNL     1       7.546   1.054   0.761  1.00  0.00           O1-
HETATM   21  H1  UNL     1      -6.143   0.965  -1.084  1.00  0.00           H  
HETATM   22  H2  UNL     1      -4.566   1.764  -0.681  1.00  0.00           H  
HETATM   23  H3  UNL     1      -5.855   1.494   0.572  1.00  0.00           H  
HETATM   24  H4  UNL     1      -6.074  -1.715   0.873  1.00  0.00           H  
HETATM   25  H5  UNL     1      -6.456  -1.384  -0.839  1.00  0.00           H  
HETATM   26  H6  UNL     1      -4.981  -2.426  -0.358  1.00  0.00           H  
HETATM   27  H7  UNL     1      -3.354  -1.276   1.154  1.00  0.00           H  
HETATM   28  H8  UNL     1      -3.652   1.846   0.937  1.00  0.00           H  
HETATM   29  H9  UNL     1      -3.421   1.008   2.461  1.00  0.00           H  
HETATM   30  H10 UNL     1      -1.136   0.491   2.105  1.00  0.00           H  
HETATM   31  H11 UNL     1      -1.473   2.171   1.755  1.00  0.00           H  
HETATM   32  H12 UNL     1      -0.625   0.904  -2.036  1.00  0.00           H  
HETATM   33  H13 UNL     1      -1.632  -0.345  -1.322  1.00  0.00           H  
HETATM   34  H14 UNL     1      -2.210   1.362  -1.446  1.00  0.00           H  
HETATM   35  H15 UNL     1       0.942   1.670   1.217  1.00  0.00           H  
HETATM   36  H16 UNL     1       2.280   1.848  -0.754  1.00  0.00           H  
HETATM   37  H17 UNL     1       0.908   1.776  -1.825  1.00  0.00           H  
HETATM   38  H18 UNL     1       1.786  -0.457  -2.183  1.00  0.00           H  
HETATM   39  H19 UNL     1       0.603  -0.719  -0.892  1.00  0.00           H  
HETATM   40  H20 UNL     1       1.304  -2.292   0.497  1.00  0.00           H  
HETATM   41  H21 UNL     1       3.090  -2.767   0.559  1.00  0.00           H  
HETATM   42  H22 UNL     1       2.213  -2.711  -0.990  1.00  0.00           H  
HETATM   43  H23 UNL     1       3.930   0.730  -0.153  1.00  0.00           H  
HETATM   44  H24 UNL     1       4.748  -0.207   1.869  1.00  0.00           H  
HETATM   45  H25 UNL     1       4.319  -1.851   1.459  1.00  0.00           H  
CONECT    1    2   21   22   23
CONECT    2    3    4    4
CONECT    3   24   25   26
CONECT    4    5   27
CONECT    5    6   28   29
CONECT    6    7   30   31
CONECT    7    8    9    9
CONECT    8   32   33   34
CONECT    9   10   35
CONECT   10   11   36   37
CONECT   11   12   38   39
CONECT   12   13   14   14
CONECT   13   40   41   42
CONECT   14   15   43
CONECT   15   16   44   45
CONECT   16   17
CONECT   17   18   18   19   20
END

HMDB0304088
     RDKit          3D
2-trans,-6-trans-farnesyl monophosphate
 45 44  0  0  0  0  0  0  0  0999 V2000
   -5.3299    1.0734   -0.3087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8253   -0.2917    0.1185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5698   -1.4955   -0.1707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7234   -0.2895    0.9046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1094    0.9449    1.3067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6278    1.1284    1.3073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8245    1.0666    0.1361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2970    0.7166   -1.2267 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5040    1.3728    0.3268 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3031    1.2991   -1.0109 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5235   -0.1796   -1.1443 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5836   -0.8177   -0.2940 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2829   -2.2677    0.0447 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5775   -0.2646    0.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7142   -0.9513    1.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6381   -0.8870    0.1475 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0242   -0.2863   -0.1763 P   0  0  0  0  0  5  0  0  0  0  0  0
    6.7629    0.4585   -1.6571 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3005   -1.2600   -0.5652 O   0  0  0  0  0  1  0  0  0  0  0  0
    7.5460    1.0538    0.7614 O   0  0  0  0  0  1  0  0  0  0  0  0
   -6.1428    0.9647   -1.0837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5657    1.7637   -0.6811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8549    1.4938    0.5717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0739   -1.7148    0.8726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4563   -1.3837   -0.8388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9808   -2.4262   -0.3578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3545   -1.2762    1.1539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6522    1.8461    0.9365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4207    1.0083    2.4613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1357    0.4907    2.1049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4730    2.1708    1.7554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6246    0.9039   -2.0357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6321   -0.3454   -1.3215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2104    1.3623   -1.4461 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9423    1.6697    1.2169 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2801    1.8481   -0.7537 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9082    1.7757   -1.8247 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7864   -0.4573   -2.1831 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6031   -0.7191   -0.8915 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3039   -2.2919    0.4967 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0896   -2.7669    0.5589 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2132   -2.7112   -0.9900 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9304    0.7299   -0.1527 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7483   -0.2069    1.8692 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3188   -1.8512    1.4591 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 17 20  1  0
  1 21  1  0
  1 22  1  0
  1 23  1  0
  3 24  1  0
  3 25  1  0
  3 26  1  0
  4 27  1  0
  5 28  1  0
  5 29  1  0
  6 30  1  0
  6 31  1  0
  8 32  1  0
  8 33  1  0
  8 34  1  0
  9 35  1  0
 10 36  1  0
 10 37  1  0
 11 38  1  0
 11 39  1  0
 13 40  1  0
 13 41  1  0
 13 42  1  0
 14 43  1  0
 15 44  1  0
 15 45  1  0
M  CHG  2  19  -1  20  -1
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
(2E,6E)-Farnesol monophosphate(2-)	ChEBI
(2E,6E)-Farnesyl phosphate	ChEBI
2-trans,6-trans-Farnesyl monophosphate(2-)	ChEBI
(2E,6E)-Farnesol monophosphoric acid(2-)	Generator
(2E,6E)-Farnesyl phosphoric acid	Generator
2-trans,6-trans-Farnesyl monophosphoric acid(2-)	Generator
(2E,6E)-Farnesyl monophosphoric acid(2-)	Generator
2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, dihydrogen phosphate, (e,e)	MetaCyc
(e,e)-Farnesyl monophosphate	MetaCyc
(e,e)-Farnesyl phosphate	MetaCyc
(trans, trans)-Farnesyl monophosphate	MetaCyc
2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, dihydrogen phosphoric acid, (e,e)	Generator
2-trans,-6-trans-Farnesyl monophosphoric acid	Generator

Chemical Formula

C₁₅H₂₅O₄P

Average Molecular Weight

300.336

Monoisotopic Molecular Weight

300.150143443

IUPAC Name

(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl phosphate

Traditional Name

(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl phosphate

CAS Registry Number

Not Available

SMILES

[H]\C(CC\C(C)=C(/[H])COP([O-])([O-])=O)=C(\C)CCC=C(C)C

InChI Identifier

InChI=1S/C15H27O4P/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-19-20(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H2,16,17,18)/p-2/b14-9+,15-11+

InChI Key

ALEWCKXBHSDCCT-YFVJMOTDSA-L

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Sesquiterpenoids

Direct Parent

Sesquiterpenoids

Alternative Parents

Substituents

Farsesane sesquiterpenoid
Sesquiterpenoid
Isoprenoid phosphate
Alkyl phosphate
Phosphoric acid ester
Organic phosphoric acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organic anion
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Herbs and Spices (FooDB: FOOD00866)

Nut

Almond (FooDB: FOOD00148)
Brazil nut (FooDB: FOOD00024)
Cashew nut (FooDB: FOOD00011)
Chestnut (FooDB: FOOD00045)
Hazelnut (FooDB: FOOD00376)
Peanut (FooDB: FOOD00016)
Pecan nut (FooDB: FOOD00044)
Pine nut (FooDB: FOOD00138)
Pistachio (FooDB: FOOD00140)
Walnut (FooDB: FOOD00608)
Acorn (FooDB: FOOD00282)
Beech nut (FooDB: FOOD00299)
Butternut (FooDB: FOOD00316)
Chinese chestnut (FooDB: FOOD00331)
European chestnut (FooDB: FOOD00363)
Hickory nut (FooDB: FOOD00377)
Macadamia nut (FooDB: FOOD00525)
Mixed nuts (FooDB: FOOD00771)
Pili nut (FooDB: FOOD00432)
Colorado pinyon (FooDB: FOOD00433)
Black walnut (FooDB: FOOD00093)
Common walnut (FooDB: FOOD00094)
Japanese chestnut (FooDB: FOOD00385)
Common hazelnut (FooDB: FOOD00062)
Macadamia nut (M. tetraphylla) (FooDB: FOOD00225)
Japanese walnut (FooDB: FOOD00240)
Nuts (FooDB: FOOD00869)

Fruit

Pome

Drupe

Apricot (FooDB: FOOD00144)
Prunus (Cherry, Plum) (FooDB: FOOD00143)
Nectarine (FooDB: FOOD00229)
Peach (FooDB: FOOD00149)
European plum (FooDB: FOOD00147)
Sour cherry (FooDB: FOOD00146)
Sweet cherry (FooDB: FOOD00145)
Common chokecherry (FooDB: FOOD00562)
Peach (var.) (FooDB: FOOD00230)

Tropical fruit

Berry

Bilberry (FooDB: FOOD00193)
Rubus (Blackberry, Raspberry) (FooDB: FOOD00160)
Vaccinium (Blueberry, Cranberry, Huckleberry) (FooDB: FOOD00188)
Blackcurrant (FooDB: FOOD00155)
Redcurrant (FooDB: FOOD00156)
Elderberry (FooDB: FOOD00358)
Gooseberry (FooDB: FOOD00157)
Grape (FooDB: FOOD00369)
Lingonberry (FooDB: FOOD00194)
Loganberry (FooDB: FOOD00400)
Strawberry (FooDB: FOOD00083)
Boysenberry (FooDB: FOOD00542)
American cranberry (FooDB: FOOD00192)
Common grape (FooDB: FOOD00204)
Strawberry guava (FooDB: FOOD00482)
Black mulberry (FooDB: FOOD00117)
Red raspberry (FooDB: FOOD00162)
Muscadine grape (FooDB: FOOD00203)
Salmonberry (FooDB: FOOD00456)
Alaska blueberry (FooDB: FOOD00380)
Sea-buckthornberry (FooDB: FOOD00087)
Black elderberry (FooDB: FOOD00166)
Black crowberry (FooDB: FOOD00075)
Black huckleberry (FooDB: FOOD00084)
Mulberry (FooDB: FOOD00116)
Black chokeberry (FooDB: FOOD00136)
Cloudberry (FooDB: FOOD00161)
Black raspberry (FooDB: FOOD00163)
Rowanberry (FooDB: FOOD00176)
Lowbush blueberry (FooDB: FOOD00189)
Sparkleberry (FooDB: FOOD00190)
Highbush blueberry (FooDB: FOOD00191)
Arctic blackberry (FooDB: FOOD00207)
Bayberry (FooDB: FOOD00209)
Elliott's blueberry (FooDB: FOOD00210)
Canada blueberry (FooDB: FOOD00211)
Bog bilberry (FooDB: FOOD00212)
Buffalo currant (FooDB: FOOD00213)
European cranberry (FooDB: FOOD00217)
Deerberry (FooDB: FOOD00218)
Cascade huckleberry (FooDB: FOOD00220)
Oval-leaf huckleberry (FooDB: FOOD00221)
Evergreen huckleberry (FooDB: FOOD00222)
Red huckleberry (FooDB: FOOD00223)
Summer grape (FooDB: FOOD00227)
Fox grape (FooDB: FOOD00228)
Half-highbush blueberry (FooDB: FOOD00248)
Jostaberry (FooDB: FOOD00257)
Sweet rowanberry (FooDB: FOOD00265)
Skunk currant (FooDB: FOOD00267)
Squashberry (FooDB: FOOD00344)
Ohelo berry (FooDB: FOOD00419)
Chinese bayberry (FooDB: FOOD00852)
Saskatoon berry (FooDB: FOOD00884)
Nanking cherry (FooDB: FOOD00885)

Other fruit

Date (FooDB: FOOD00135)
Fig (FooDB: FOOD00081)
Jujube (FooDB: FOOD00388)

Citrus

Grapefruit (FooDB: FOOD00256)
Lemon (FooDB: FOOD00054)
Lime (FooDB: FOOD00053)
Sweet orange (FooDB: FOOD00057)
Mandarin orange (Clementine, Tangerine) (FooDB: FOOD00056)
Persian lime (FooDB: FOOD00543)
Pummelo (FooDB: FOOD00055)
Grapefruit/Pummelo hybrid (FooDB: FOOD00255)
Citrus (FooDB: FOOD00859)

Fruits (FooDB: FOOD00871)

Vegetable

Shoot vegetable

Fruit vegetable

Eggplant (FooDB: FOOD00174)
Avocado (FooDB: FOOD00130)
Groundcherry (FooDB: FOOD00371)
Olive (FooDB: FOOD00121)
Pepper (FooDB: FOOD00040)
Garden tomato (FooDB: FOOD00171)
Mexican groundcherry (FooDB: FOOD00491)
Green bell pepper (FooDB: FOOD00877)
Yellow bell pepper (FooDB: FOOD00878)
Red bell pepper (FooDB: FOOD00880)
Italian sweet red pepper (FooDB: FOOD00881)
Garden tomato (var.) (FooDB: FOOD00173)
Cherry tomato (FooDB: FOOD00172)
Pepper (C. baccatum) (FooDB: FOOD00231)
Pepper (C. chinense) (FooDB: FOOD00232)
Pepper (Capsicum) (FooDB: FOOD00233)
Pepper (C. frutescens) (FooDB: FOOD00428)
Pepper (C. pubescens) (FooDB: FOOD00849)
Orange bell pepper (FooDB: FOOD00879)

Root vegetable

Cabbage

Leaf vegetable

Lettuce (FooDB: FOOD00095)
Swiss chard (FooDB: FOOD00237)
Garden cress (FooDB: FOOD00099)
Endive (FooDB: FOOD00048)
Spinach (FooDB: FOOD00178)
Common beet (FooDB: FOOD00025)
Garland chrysanthemum (FooDB: FOOD00333)
Jute (FooDB: FOOD00389)
Lambsquarters (FooDB: FOOD00394)
New Zealand spinach (FooDB: FOOD00415)
Swamp cabbage (FooDB: FOOD00091)
Rocket salad (ssp.) (FooDB: FOOD00077)
Yautia (FooDB: FOOD00510)
Romaine lettuce (FooDB: FOOD00888)
Rocket salad (FooDB: FOOD00244)
Chicory leaves (FooDB: FOOD00250)
Corn salad (FooDB: FOOD00340)
Malabar spinach (FooDB: FOOD00404)
Ostrich fern (FooDB: FOOD00556)
Green vegetables (FooDB: FOOD00872)

Mushroom

Tuber

Onion-family vegetable

Leek (FooDB: FOOD00007)
Allium (FooDB: FOOD00005)
Wild leek (FooDB: FOOD00396)
Shallot (FooDB: FOOD00243)
Garden onion (FooDB: FOOD00006)
Garden onion (var.) (FooDB: FOOD00226)
Onion-family vegetables (FooDB: FOOD00855)
Green onion (FooDB: FOOD00963)
Red onion (FooDB: FOOD00962)

Other vegetable

Okra (FooDB: FOOD00420)
Horseradish tree (FooDB: FOOD00379)
Sacred lotus (FooDB: FOOD00402)
Tree fern (FooDB: FOOD00797)
Chinese water chestnut (FooDB: FOOD00332)
Nopal (FooDB: FOOD00416)
Carob (FooDB: FOOD00321)
Agave (FooDB: FOOD00563)
Narrowleaf cattail (FooDB: FOOD00564)
Giant butterbur (FooDB: FOOD00314)
Sesbania flower (FooDB: FOOD00469)

Stalk vegetable

Brassica

Brassicas (FooDB: FOOD00857)

Soy

Soy bean (FooDB: FOOD00085)

Soy product

Other soy product (FooDB: FOOD00271)

Cereal and cereal product

Other bread

Other bread (FooDB: FOOD00269)

Cereal

Cereal product

Dough

Sourdough (FooDB: FOOD00275)

Cereals and cereal products (FooDB: FOOD00858)

Pulse

Bean

Lentil

Lentils (FooDB: FOOD00098)

Pea

Other pulse

White lupine (FooDB: FOOD00403)
Lupine (FooDB: FOOD00104)

Pulses (FooDB: FOOD00867)

Abalone (FooDB: FOOD00279)
Conch (FooDB: FOOD00611)

Gourd

Chayote (FooDB: FOOD00325)
Cucumber (FooDB: FOOD00065)
Muskmelon (FooDB: FOOD00064)
Cucurbita (FooDB: FOOD00066)
Watermelon (FooDB: FOOD00052)
Bitter gourd (FooDB: FOOD00115)
Calabash (FooDB: FOOD00318)
Towel gourd (FooDB: FOOD00492)
Winter squash (FooDB: FOOD00283)
Butternut squash (FooDB: FOOD00317)
Wax gourd (FooDB: FOOD00499)
Green zucchini (FooDB: FOOD00875)
Yellow zucchini (FooDB: FOOD00876)
Japanese pumpkin (FooDB: FOOD00886)
Sunburst squash (pattypan squash) (FooDB: FOOD00874)
Tinda (FooDB: FOOD00559)
Horned melon (FooDB: FOOD00761)

Tea

Herbal tea

Greenthread tea (FooDB: FOOD00820)

Cocoa and cocoa product

Cocoa

Cocoa bean (FooDB: FOOD00182)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	4.04	ALOGPS
logP	4.04	ChemAxon
logS	-3.1	ALOGPS
pKa (Strongest Acidic)	1.79	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	72.42 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	83.61 m³·mol⁻¹	ChemAxon
Polarizability	32.76 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
AllCCS	[M+H]+	178.24	32859911
AllCCS	[M+H-H2O]+	175.1	32859911
AllCCS	[M+Na]+	181.987	32859911
AllCCS	[M+NH4]+	181.151	32859911
AllCCS	[M-H]-	170.953	32859911
AllCCS	[M+Na-2H]-	171.961	32859911
AllCCS	[M+HCOO]-	173.202	32859911
DeepCCS	[M+H]+	184.517	30932474
DeepCCS	[M-H]-	182.159	30932474
DeepCCS	[M-2H]-	216.229	30932474
DeepCCS	[M+Na]+	191.632	30932474

Predicted Kovats Retention Indices

Not Available

Spectra

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB030363

KNApSAcK ID

Not Available

Chemspider ID

58164005

KEGG Compound ID

Not Available

BioCyc ID

CPD-12587

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

88226

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Showing metabocard for 2-trans,-6-trans-farnesyl monophosphate (HMDB0304088)

MOL for HMDB0304088 (2-trans,-6-trans-farnesyl monophosphate)

3D MOL for HMDB0304088 (2-trans,-6-trans-farnesyl monophosphate)

3D SDF for HMDB0304088 (2-trans,-6-trans-farnesyl monophosphate)

3D-SDF for HMDB0304088 (2-trans,-6-trans-farnesyl monophosphate)

PDB for HMDB0304088 (2-trans,-6-trans-farnesyl monophosphate)

3D PDB for HMDB0304088 (2-trans,-6-trans-farnesyl monophosphate)

SMILES for HMDB0304088 (2-trans,-6-trans-farnesyl monophosphate)

INCHI for HMDB0304088 (2-trans,-6-trans-farnesyl monophosphate)

Structure for HMDB0304088 (2-trans,-6-trans-farnesyl monophosphate)

3D Structure for HMDB0304088 (2-trans,-6-trans-farnesyl monophosphate)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices