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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 19:51:53 UTC

Update Date

2022-03-07 02:54:17 UTC

HMDB ID

HMDB0034933

Secondary Accession Numbers

HMDB34933

Metabolite Identification

Common Name

(Z)-11-Eicosen-1-ol

Description

(Z)-11-Eicosen-1-ol belongs to the class of organic compounds known as long-chain fatty alcohols. These are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms. Thus, (Z)-11-eicosen-1-ol is considered to be a fatty alcohol. Based on a literature review a small amount of articles have been published on (Z)-11-Eicosen-1-ol.

Structure

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

HMDB0034933
     RDKit          3D
(Z)-11-Eicosen-1-ol
 61 60  0  0  0  0  0  0  0  0999 V2000
   -8.0734   -1.7571    0.7827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6546   -2.1890    0.5281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0297   -1.3675   -0.5799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0097    0.1095   -0.2249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2546    0.4429    0.9914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8408    0.0872    1.1499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8039    0.6208    0.2376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8935    0.2267   -1.1764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7703    0.7860   -2.0107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8549    1.5386   -1.4388 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2731    2.1092   -2.2388 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5743    1.5851   -1.6596 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7746    1.9693   -0.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0650    1.4123    0.2967 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2164    1.9391   -0.4837 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5500    1.4221    0.0255 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6252   -0.0917   -0.0505 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9673   -0.5456    0.4638 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1979   -2.0094    0.4374 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2587   -2.8458    1.2343 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9300   -2.7489    0.8452 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5236   -1.4963   -0.1986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0526   -0.8986    1.4778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6487   -2.5667    1.2547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6833   -3.2340    0.1698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0206   -2.1819    1.4322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0328   -1.7547   -0.7916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6971   -1.4643   -1.4619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8500    0.6967   -1.1137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1151    0.3382    0.0495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3271    1.5902    1.0906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8419    0.0762    1.8948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5459    0.3106    2.2444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7668   -1.0551    1.1289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7933    0.2830    0.6232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7771    1.7472    0.3186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8578   -0.8960   -1.3096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7950    0.5646   -1.6753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375    0.5549   -3.0781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8986    1.7626   -0.3899 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2104    3.2081   -2.1625 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1922    1.8427   -3.2923 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6076    0.4898   -1.8039 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3709    2.0813   -2.2885 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9385    1.6546    0.4264 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8452    3.0924   -0.1225 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0196    0.2976    0.3204 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1368    1.7620    1.3605 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2348    3.0412   -0.3754 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1617    1.7103   -1.5668 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7496    1.7416    1.0461 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3299    1.8231   -0.6526 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4303   -0.4919   -1.0490 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8660   -0.4659    0.6911 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7818   -0.0157   -0.0949 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0299   -0.2159    1.5317 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2294   -2.1898    0.8622 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2869   -2.3858   -0.6250 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5070   -3.9352    1.1836 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3487   -2.5574    2.3084 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4407   -3.5573    1.1643 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  2 25  1  0
  2 26  1  0
  3 27  1  0
  3 28  1  0
  4 29  1  0
  4 30  1  0
  5 31  1  0
  5 32  1  0
  6 33  1  0
  6 34  1  0
  7 35  1  0
  7 36  1  0
  8 37  1  0
  8 38  1  0
  9 39  1  0
 10 40  1  0
 11 41  1  0
 11 42  1  0
 12 43  1  0
 12 44  1  0
 13 45  1  0
 13 46  1  0
 14 47  1  0
 14 48  1  0
 15 49  1  0
 15 50  1  0
 16 51  1  0
 16 52  1  0
 17 53  1  0
 17 54  1  0
 18 55  1  0
 18 56  1  0
 19 57  1  0
 19 58  1  0
 20 59  1  0
 20 60  1  0
 21 61  1  0
M  END


  Mrv0541 05061308082D          

 21 20  0  0  0  0            999 V2000
   -2.9092    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1947    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4802    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7658    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0513    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6632    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3776    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0921    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8066    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5211    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2355    3.2704    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
    5.6645    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3789    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0934    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8079    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5224    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2368    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9513    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6658    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3802    3.2704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0034933

> <DATABASE_NAME>
hmdb

> <SMILES>
CCCCCCCC\C=C\CCCCCCCCCCO

> <INCHI_IDENTIFIER>
InChI=1S/C20H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h9-10,21H,2-8,11-20H2,1H3/b10-9+

> <INCHI_KEY>
QYOZAXQSDUAPDS-MDZDMXLPSA-N

> <FORMULA>
C20H40O

> <MOLECULAR_WEIGHT>
296.531

> <EXACT_MASS>
296.307915902

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
41.92199757325377

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(11E)-icos-11-en-1-ol

> <ALOGPS_LOGP>
8.69

> <JCHEM_LOGP>
7.556498929333334

> <ALOGPS_LOGS>
-7.05

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.84394282199214

> <JCHEM_PKA_STRONGEST_BASIC>
-1.9922594096606376

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
96.86749999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
17

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.67e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(11E)-icos-11-en-1-ol

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0034933
     RDKit          3D
(Z)-11-Eicosen-1-ol
 61 60  0  0  0  0  0  0  0  0999 V2000
   -8.0734   -1.7571    0.7827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6546   -2.1890    0.5281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0297   -1.3675   -0.5799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0097    0.1095   -0.2249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2546    0.4429    0.9914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8408    0.0872    1.1499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8039    0.6208    0.2376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8935    0.2267   -1.1764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7703    0.7860   -2.0107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8549    1.5386   -1.4388 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2731    2.1092   -2.2388 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5743    1.5851   -1.6596 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7746    1.9693   -0.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0650    1.4123    0.2967 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2164    1.9391   -0.4837 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5500    1.4221    0.0255 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6252   -0.0917   -0.0505 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9673   -0.5456    0.4638 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1979   -2.0094    0.4374 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2587   -2.8458    1.2343 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9300   -2.7489    0.8452 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5236   -1.4963   -0.1986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0526   -0.8986    1.4778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6487   -2.5667    1.2547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6833   -3.2340    0.1698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0206   -2.1819    1.4322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0328   -1.7547   -0.7916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6971   -1.4643   -1.4619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8500    0.6967   -1.1137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1151    0.3382    0.0495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3271    1.5902    1.0906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8419    0.0762    1.8948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5459    0.3106    2.2444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7668   -1.0551    1.1289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7933    0.2830    0.6232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7771    1.7472    0.3186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8578   -0.8960   -1.3096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7950    0.5646   -1.6753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375    0.5549   -3.0781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8986    1.7626   -0.3899 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2104    3.2081   -2.1625 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1922    1.8427   -3.2923 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6076    0.4898   -1.8039 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3709    2.0813   -2.2885 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9385    1.6546    0.4264 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8452    3.0924   -0.1225 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0196    0.2976    0.3204 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1368    1.7620    1.3605 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2348    3.0412   -0.3754 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1617    1.7103   -1.5668 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7496    1.7416    1.0461 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3299    1.8231   -0.6526 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4303   -0.4919   -1.0490 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8660   -0.4659    0.6911 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7818   -0.0157   -0.0949 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0299   -0.2159    1.5317 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2294   -2.1898    0.8622 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2869   -2.3858   -0.6250 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5070   -3.9352    1.1836 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3487   -2.5574    2.3084 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4407   -3.5573    1.1643 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  2 25  1  0
  2 26  1  0
  3 27  1  0
  3 28  1  0
  4 29  1  0
  4 30  1  0
  5 31  1  0
  5 32  1  0
  6 33  1  0
  6 34  1  0
  7 35  1  0
  7 36  1  0
  8 37  1  0
  8 38  1  0
  9 39  1  0
 10 40  1  0
 11 41  1  0
 11 42  1  0
 12 43  1  0
 12 44  1  0
 13 45  1  0
 13 46  1  0
 14 47  1  0
 14 48  1  0
 15 49  1  0
 15 50  1  0
 16 51  1  0
 16 52  1  0
 17 53  1  0
 17 54  1  0
 18 55  1  0
 18 56  1  0
 19 57  1  0
 19 58  1  0
 20 59  1  0
 20 60  1  0
 21 61  1  0
M  END

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0      -5.431   6.105   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.097   5.335   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.763   6.105   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.429   5.335   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.096   6.105   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.238   5.335   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.572   6.105   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.905   5.335   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.239   6.105   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.573   5.335   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       7.906   6.105   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       9.240   5.335   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      10.574   6.105   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      11.907   5.335   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      13.241   6.105   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      14.575   5.335   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      15.908   6.105   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      17.242   5.335   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      18.576   6.105   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      19.909   5.335   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      21.243   6.105   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20                                                            
MASTER        0    0    0    0    0    0    0    0   21    0   40    0
END

COMPND    HMDB0034933
HETATM    1  C1  UNL     1      -8.073  -1.757   0.783  1.00  0.00           C  
HETATM    2  C2  UNL     1      -6.655  -2.189   0.528  1.00  0.00           C  
HETATM    3  C3  UNL     1      -6.030  -1.367  -0.580  1.00  0.00           C  
HETATM    4  C4  UNL     1      -6.010   0.109  -0.225  1.00  0.00           C  
HETATM    5  C5  UNL     1      -5.255   0.443   0.991  1.00  0.00           C  
HETATM    6  C6  UNL     1      -3.841   0.087   1.150  1.00  0.00           C  
HETATM    7  C7  UNL     1      -2.804   0.621   0.238  1.00  0.00           C  
HETATM    8  C8  UNL     1      -2.894   0.227  -1.176  1.00  0.00           C  
HETATM    9  C9  UNL     1      -1.770   0.786  -2.011  1.00  0.00           C  
HETATM   10  C10 UNL     1      -0.855   1.539  -1.439  1.00  0.00           C  
HETATM   11  C11 UNL     1       0.273   2.109  -2.239  1.00  0.00           C  
HETATM   12  C12 UNL     1       1.574   1.585  -1.660  1.00  0.00           C  
HETATM   13  C13 UNL     1       1.775   1.969  -0.233  1.00  0.00           C  
HETATM   14  C14 UNL     1       3.065   1.412   0.297  1.00  0.00           C  
HETATM   15  C15 UNL     1       4.216   1.939  -0.484  1.00  0.00           C  
HETATM   16  C16 UNL     1       5.550   1.422   0.025  1.00  0.00           C  
HETATM   17  C17 UNL     1       5.625  -0.092  -0.051  1.00  0.00           C  
HETATM   18  C18 UNL     1       6.967  -0.546   0.464  1.00  0.00           C  
HETATM   19  C19 UNL     1       7.198  -2.009   0.437  1.00  0.00           C  
HETATM   20  C20 UNL     1       6.259  -2.846   1.234  1.00  0.00           C  
HETATM   21  O1  UNL     1       4.930  -2.749   0.845  1.00  0.00           O  
HETATM   22  H1  UNL     1      -8.524  -1.496  -0.199  1.00  0.00           H  
HETATM   23  H2  UNL     1      -8.053  -0.899   1.478  1.00  0.00           H  
HETATM   24  H3  UNL     1      -8.649  -2.567   1.255  1.00  0.00           H  
HETATM   25  H4  UNL     1      -6.683  -3.234   0.170  1.00  0.00           H  
HETATM   26  H5  UNL     1      -6.021  -2.182   1.432  1.00  0.00           H  
HETATM   27  H6  UNL     1      -5.033  -1.755  -0.792  1.00  0.00           H  
HETATM   28  H7  UNL     1      -6.697  -1.464  -1.462  1.00  0.00           H  
HETATM   29  H8  UNL     1      -5.850   0.697  -1.114  1.00  0.00           H  
HETATM   30  H9  UNL     1      -7.115   0.338   0.049  1.00  0.00           H  
HETATM   31  H10 UNL     1      -5.327   1.590   1.091  1.00  0.00           H  
HETATM   32  H11 UNL     1      -5.842   0.076   1.895  1.00  0.00           H  
HETATM   33  H12 UNL     1      -3.546   0.311   2.244  1.00  0.00           H  
HETATM   34  H13 UNL     1      -3.767  -1.055   1.129  1.00  0.00           H  
HETATM   35  H14 UNL     1      -1.793   0.283   0.623  1.00  0.00           H  
HETATM   36  H15 UNL     1      -2.777   1.747   0.319  1.00  0.00           H  
HETATM   37  H16 UNL     1      -2.858  -0.896  -1.310  1.00  0.00           H  
HETATM   38  H17 UNL     1      -3.795   0.565  -1.675  1.00  0.00           H  
HETATM   39  H18 UNL     1      -1.738   0.555  -3.078  1.00  0.00           H  
HETATM   40  H19 UNL     1      -0.899   1.763  -0.390  1.00  0.00           H  
HETATM   41  H20 UNL     1       0.210   3.208  -2.162  1.00  0.00           H  
HETATM   42  H21 UNL     1       0.192   1.843  -3.292  1.00  0.00           H  
HETATM   43  H22 UNL     1       1.608   0.490  -1.804  1.00  0.00           H  
HETATM   44  H23 UNL     1       2.371   2.081  -2.288  1.00  0.00           H  
HETATM   45  H24 UNL     1       0.938   1.655   0.426  1.00  0.00           H  
HETATM   46  H25 UNL     1       1.845   3.092  -0.122  1.00  0.00           H  
HETATM   47  H26 UNL     1       3.020   0.298   0.320  1.00  0.00           H  
HETATM   48  H27 UNL     1       3.137   1.762   1.361  1.00  0.00           H  
HETATM   49  H28 UNL     1       4.235   3.041  -0.375  1.00  0.00           H  
HETATM   50  H29 UNL     1       4.162   1.710  -1.567  1.00  0.00           H  
HETATM   51  H30 UNL     1       5.750   1.742   1.046  1.00  0.00           H  
HETATM   52  H31 UNL     1       6.330   1.823  -0.653  1.00  0.00           H  
HETATM   53  H32 UNL     1       5.430  -0.492  -1.049  1.00  0.00           H  
HETATM   54  H33 UNL     1       4.866  -0.466   0.691  1.00  0.00           H  
HETATM   55  H34 UNL     1       7.782  -0.016  -0.095  1.00  0.00           H  
HETATM   56  H35 UNL     1       7.030  -0.216   1.532  1.00  0.00           H  
HETATM   57  H36 UNL     1       8.229  -2.190   0.862  1.00  0.00           H  
HETATM   58  H37 UNL     1       7.287  -2.386  -0.625  1.00  0.00           H  
HETATM   59  H38 UNL     1       6.507  -3.935   1.184  1.00  0.00           H  
HETATM   60  H39 UNL     1       6.349  -2.557   2.308  1.00  0.00           H  
HETATM   61  H40 UNL     1       4.441  -3.557   1.164  1.00  0.00           H  
CONECT    1    2   22   23   24
CONECT    2    3   25   26
CONECT    3    4   27   28
CONECT    4    5   29   30
CONECT    5    6   31   32
CONECT    6    7   33   34
CONECT    7    8   35   36
CONECT    8    9   37   38
CONECT    9   10   10   39
CONECT   10   11   40
CONECT   11   12   41   42
CONECT   12   13   43   44
CONECT   13   14   45   46
CONECT   14   15   47   48
CONECT   15   16   49   50
CONECT   16   17   51   52
CONECT   17   18   53   54
CONECT   18   19   55   56
CONECT   19   20   57   58
CONECT   20   21   59   60
CONECT   21   61
END

HMDB0034933
     RDKit          3D
(Z)-11-Eicosen-1-ol
 61 60  0  0  0  0  0  0  0  0999 V2000
   -8.0734   -1.7571    0.7827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6546   -2.1890    0.5281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0297   -1.3675   -0.5799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0097    0.1095   -0.2249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2546    0.4429    0.9914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8408    0.0872    1.1499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8039    0.6208    0.2376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8935    0.2267   -1.1764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7703    0.7860   -2.0107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8549    1.5386   -1.4388 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2731    2.1092   -2.2388 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5743    1.5851   -1.6596 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7746    1.9693   -0.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0650    1.4123    0.2967 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2164    1.9391   -0.4837 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5500    1.4221    0.0255 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6252   -0.0917   -0.0505 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9673   -0.5456    0.4638 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1979   -2.0094    0.4374 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2587   -2.8458    1.2343 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9300   -2.7489    0.8452 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5236   -1.4963   -0.1986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0526   -0.8986    1.4778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6487   -2.5667    1.2547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6833   -3.2340    0.1698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0206   -2.1819    1.4322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0328   -1.7547   -0.7916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6971   -1.4643   -1.4619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8500    0.6967   -1.1137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1151    0.3382    0.0495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3271    1.5902    1.0906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8419    0.0762    1.8948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5459    0.3106    2.2444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7668   -1.0551    1.1289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7933    0.2830    0.6232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7771    1.7472    0.3186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8578   -0.8960   -1.3096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7950    0.5646   -1.6753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375    0.5549   -3.0781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8986    1.7626   -0.3899 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2104    3.2081   -2.1625 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1922    1.8427   -3.2923 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6076    0.4898   -1.8039 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3709    2.0813   -2.2885 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9385    1.6546    0.4264 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8452    3.0924   -0.1225 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0196    0.2976    0.3204 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1368    1.7620    1.3605 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2348    3.0412   -0.3754 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1617    1.7103   -1.5668 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7496    1.7416    1.0461 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3299    1.8231   -0.6526 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4303   -0.4919   -1.0490 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8660   -0.4659    0.6911 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7818   -0.0157   -0.0949 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0299   -0.2159    1.5317 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2294   -2.1898    0.8622 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2869   -2.3858   -0.6250 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5070   -3.9352    1.1836 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3487   -2.5574    2.3084 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4407   -3.5573    1.1643 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  2 25  1  0
  2 26  1  0
  3 27  1  0
  3 28  1  0
  4 29  1  0
  4 30  1  0
  5 31  1  0
  5 32  1  0
  6 33  1  0
  6 34  1  0
  7 35  1  0
  7 36  1  0
  8 37  1  0
  8 38  1  0
  9 39  1  0
 10 40  1  0
 11 41  1  0
 11 42  1  0
 12 43  1  0
 12 44  1  0
 13 45  1  0
 13 46  1  0
 14 47  1  0
 14 48  1  0
 15 49  1  0
 15 50  1  0
 16 51  1  0
 16 52  1  0
 17 53  1  0
 17 54  1  0
 18 55  1  0
 18 56  1  0
 19 57  1  0
 19 58  1  0
 20 59  1  0
 20 60  1  0
 21 61  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
11-EICOSENOL	HMDB
11-Eicosen-1-ol	MeSH

Chemical Formula

C₂₀H₄₀O

Average Molecular Weight

296.531

Monoisotopic Molecular Weight

296.307915902

IUPAC Name

(11E)-icos-11-en-1-ol

Traditional Name

(11E)-icos-11-en-1-ol

CAS Registry Number

62442-62-0

SMILES

CCCCCCCC\C=C\CCCCCCCCCCO

InChI Identifier

InChI=1S/C20H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h9-10,21H,2-8,11-20H2,1H3/b10-9+

InChI Key

QYOZAXQSDUAPDS-MDZDMXLPSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as long-chain fatty alcohols. These are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty alcohols

Direct Parent

Long-chain fatty alcohols

Alternative Parents

Substituents

Long chain fatty alcohol
Organic oxygen compound
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Fatty alcohols (LMFA05000219 )

Ontology

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	25 - 26 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	0.0024 mg/L @ 25 °C (est)	The Good Scents Company Information System
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	2.7e-05 g/L	ALOGPS
logP	8.69	ALOGPS
logP	7.56	ChemAxon
logS	-7	ALOGPS
pKa (Strongest Acidic)	16.84	ChemAxon
pKa (Strongest Basic)	-2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	20.23 Å²	ChemAxon
Rotatable Bond Count	17	ChemAxon
Refractivity	96.87 m³·mol⁻¹	ChemAxon
Polarizability	41.92 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	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
DarkChem	[M+H]+	181.038	31661259
DarkChem	[M-H]-	182.378	31661259
DeepCCS	[M+H]+	181.219	30932474
DeepCCS	[M-H]-	178.53	30932474
DeepCCS	[M-2H]-	213.661	30932474
DeepCCS	[M+Na]+	189.446	30932474
AllCCS	[M+H]+	186.9	32859911
AllCCS	[M+H-H2O]+	184.1	32859911
AllCCS	[M+NH4]+	189.6	32859911
AllCCS	[M+Na]+	190.3	32859911
AllCCS	[M-H]-	184.9	32859911
AllCCS	[M+Na-2H]-	186.7	32859911
AllCCS	[M+HCOO]-	189.0	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
(Z)-11-Eicosen-1-ol	CCCCCCCC\C=C\CCCCCCCCCCO	2186.2	Standard polar	33892256
(Z)-11-Eicosen-1-ol	CCCCCCCC\C=C\CCCCCCCCCCO	2211.3	Standard non polar	33892256
(Z)-11-Eicosen-1-ol	CCCCCCCC\C=C\CCCCCCCCCCO	2271.7	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
(Z)-11-Eicosen-1-ol,1TMS,isomer #1	CCCCCCCC/C=C/CCCCCCCCCCO[Si](C)(C)C	2347.6	Semi standard non polar	33892256
(Z)-11-Eicosen-1-ol,1TBDMS,isomer #1	CCCCCCCC/C=C/CCCCCCCCCCO[Si](C)(C)C(C)(C)C	2605.0	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental GC-MS	GC-MS Spectrum - (Z)-11-Eicosen-1-ol EI-B (Non-derivatized)	splash10-05nf-9000000000-5b7739079e31469d2ed2	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - (Z)-11-Eicosen-1-ol EI-B (Non-derivatized)	splash10-05nf-9000000000-5b7739079e31469d2ed2	2018-05-18	HMDB team, MONA, MassBank	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (Z)-11-Eicosen-1-ol GC-MS (Non-derivatized) - 70eV, Positive	splash10-0005-6960000000-a643867dc7859ec1ca8c	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (Z)-11-Eicosen-1-ol GC-MS (1 TMS) - 70eV, Positive	splash10-0fk9-9542000000-4981f1af63ba86fbc7e8	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (Z)-11-Eicosen-1-ol GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (Z)-11-Eicosen-1-ol 10V, Positive-QTOF	splash10-004j-0090000000-37dc0df08060f5495143	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (Z)-11-Eicosen-1-ol 20V, Positive-QTOF	splash10-004i-4590000000-5eeef224ab6e36f11d8b	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (Z)-11-Eicosen-1-ol 40V, Positive-QTOF	splash10-052f-9840000000-8c3753a8431d7372dfc5	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (Z)-11-Eicosen-1-ol 10V, Negative-QTOF	splash10-0002-0090000000-9042a6518244839579bc	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (Z)-11-Eicosen-1-ol 20V, Negative-QTOF	splash10-0002-0090000000-c602510d56e7c06957d1	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (Z)-11-Eicosen-1-ol 40V, Negative-QTOF	splash10-004m-8590000000-9aed218cbf7b96da4513	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (Z)-11-Eicosen-1-ol 10V, Negative-QTOF	splash10-0002-0090000000-2f702178cb616025d7f3	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (Z)-11-Eicosen-1-ol 20V, Negative-QTOF	splash10-0002-0090000000-0d6f497fdd97fdd97fc9	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (Z)-11-Eicosen-1-ol 40V, Negative-QTOF	splash10-0a4m-5190000000-7ee2b70d7980933cfc01	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (Z)-11-Eicosen-1-ol 10V, Positive-QTOF	splash10-0002-3190000000-a71f1ffe3baf2e15883f	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (Z)-11-Eicosen-1-ol 20V, Positive-QTOF	splash10-052b-9140000000-10eef0649a5441b01879	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (Z)-11-Eicosen-1-ol 40V, Positive-QTOF	splash10-0a4l-9000000000-f8c2d9621093c01bef5d	2021-09-24	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Extracellular
Membrane

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

FDB013524

KNApSAcK ID

Not Available

Chemspider ID

8076485

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

9900830

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

rw1846461

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.

Showing metabocard for (Z)-11-Eicosen-1-ol (HMDB0034933)

MOL for HMDB0034933 ((Z)-11-Eicosen-1-ol)

3D MOL for HMDB0034933 ((Z)-11-Eicosen-1-ol)

3D SDF for HMDB0034933 ((Z)-11-Eicosen-1-ol)

3D-SDF for HMDB0034933 ((Z)-11-Eicosen-1-ol)

PDB for HMDB0034933 ((Z)-11-Eicosen-1-ol)

3D PDB for HMDB0034933 ((Z)-11-Eicosen-1-ol)

SMILES for HMDB0034933 ((Z)-11-Eicosen-1-ol)

INCHI for HMDB0034933 ((Z)-11-Eicosen-1-ol)

Structure for HMDB0034933 ((Z)-11-Eicosen-1-ol)

3D Structure for HMDB0034933 ((Z)-11-Eicosen-1-ol)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra