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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2017-03-23 06:18:46 UTC

Update Date

2022-03-07 03:17:59 UTC

HMDB ID

HMDB0062787

Secondary Accession Numbers

HMDB62787

Metabolite Identification

Common Name

2,6,10,15-tetramethylheptadecane

Description

2,6,10,15-tetramethylheptadecane belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Thus, 2,6,10,15-tetramethylheptadecane is considered to be a hydrocarbon lipid molecule. 2,6,10,15-tetramethylheptadecane is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral.

Structure

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

HMDB0062787
     RDKit          3D
2,6,10,15-tetramethylheptadecane
 65 64  0  0  0  0  0  0  0  0999 V2000
   -7.2889    1.1029   -1.3208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6043    1.7014   -0.1392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8738    0.6955    0.7154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2360    1.4473    1.8642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7641    0.0032   -0.0579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1109   -0.9711    0.8920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9959   -1.7325    0.2291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9162   -0.8058   -0.2666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7869   -1.5960   -0.9242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3831   -2.3761   -2.0953 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1866   -0.6256   -1.5238 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7981    0.3034   -0.5131 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5190   -0.5007    0.5156 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1855    0.3227    1.5954 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8406   -0.6180    2.5518 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0329    1.4148    1.0718 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1730    1.0870    0.1977 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2415    0.2043    0.7773 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2958    0.0526   -0.3266 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4320   -0.8188    0.1328 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8406    1.4084   -0.7202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0513    1.7109   -2.2345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3961    1.1461   -1.1953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0119    0.0701   -1.5257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8606    2.4837   -0.4338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3376    2.2129    0.5172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5597   -0.0745    1.0728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9691    2.2156    2.1832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0673    0.7894    2.7408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3172    1.9754    1.5442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9805    0.7417   -0.3624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1541   -0.5844   -0.9139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8866   -1.6537    1.3078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7179   -0.4072    1.7828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5641   -2.4176    1.0151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3572   -2.4040   -0.5635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3014   -0.1103   -1.0143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5201   -0.2600    0.6022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3566   -2.2924   -0.2034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7907   -3.3453   -1.7818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1200   -1.7236   -2.5957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5601   -2.5630   -2.8224 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0012   -1.1946   -2.0523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3417   -0.0737   -2.3294 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5200    0.9825   -1.0191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0198    0.8908   -0.0485 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2083   -1.2512    0.0864 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7342   -1.1118    1.0527 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3328    0.8260    2.1479 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0903   -0.8089    3.3859 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9692   -1.6606    2.1321 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7211   -0.2415    3.0753 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3496    2.0925    0.4721 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3921    2.1079    1.8937 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7099    2.0576   -0.0563 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8456    0.7265   -0.8046 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8939   -0.7906    1.1046 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7542    0.6715    1.6410 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8601   -0.4015   -1.2398 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6134   -0.7395    1.2242 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3325   -0.5227   -0.4433 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2406   -1.8872   -0.1447 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1903    1.8912   -1.4501 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0854    2.0279    0.1621 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8113    1.2007   -1.2562 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
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
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 17 18  1  0
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  1 22  1  0
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  1 24  1  0
  2 25  1  0
  2 26  1  0
  3 27  1  0
  4 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
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 11 43  1  0
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 20 62  1  0
 21 63  1  0
 21 64  1  0
 21 65  1  0
M  END


  Mrv1652303231707182D          

 21 20  0  0  0  0            999 V2000
    7.9480    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6625    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3770    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3770    6.2388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0914    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8059    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5204    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2349    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9493    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9493    4.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6638    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3783    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0927    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8072    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8072    4.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5217    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2362    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9506    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6651    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3796    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6651    4.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0062787

> <DATABASE_NAME>
hmdb

> <SMILES>
CCC(C)CCCCC(C)CCCC(C)CCCC(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C21H44/c1-7-19(4)13-8-9-14-20(5)16-11-17-21(6)15-10-12-18(2)3/h18-21H,7-17H2,1-6H3

> <INCHI_KEY>
ZZEQNXPBKOFTBG-UHFFFAOYSA-N

> <FORMULA>
C21H44

> <MOLECULAR_WEIGHT>
296.583

> <EXACT_MASS>
296.344301417

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
65

> <JCHEM_AVERAGE_POLARIZABILITY>
42.06481123517444

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2,6,10,15-tetramethylheptadecane

> <ALOGPS_LOGP>
9.38

> <JCHEM_LOGP>
9.169469592999999

> <ALOGPS_LOGS>
-7.74

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
98.21359999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.42e-06 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2,6,10,15-tetramethylheptadecane

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0062787
     RDKit          3D
2,6,10,15-tetramethylheptadecane
 65 64  0  0  0  0  0  0  0  0999 V2000
   -7.2889    1.1029   -1.3208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6043    1.7014   -0.1392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8738    0.6955    0.7154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2360    1.4473    1.8642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7641    0.0032   -0.0579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1109   -0.9711    0.8920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9959   -1.7325    0.2291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9162   -0.8058   -0.2666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7869   -1.5960   -0.9242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3831   -2.3761   -2.0953 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1866   -0.6256   -1.5238 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7981    0.3034   -0.5131 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5190   -0.5007    0.5156 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1855    0.3227    1.5954 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8406   -0.6180    2.5518 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0329    1.4148    1.0718 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1730    1.0870    0.1977 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2415    0.2043    0.7773 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2958    0.0526   -0.3266 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4320   -0.8188    0.1328 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8406    1.4084   -0.7202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0513    1.7109   -2.2345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3961    1.1461   -1.1953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0119    0.0701   -1.5257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8606    2.4837   -0.4338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3376    2.2129    0.5172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5597   -0.0745    1.0728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9691    2.2156    2.1832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0673    0.7894    2.7408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3172    1.9754    1.5442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9805    0.7417   -0.3624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1541   -0.5844   -0.9139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8866   -1.6537    1.3078 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5641   -2.4176    1.0151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3572   -2.4040   -0.5635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3014   -0.1103   -1.0143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5201   -0.2600    0.6022 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7907   -3.3453   -1.7818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1200   -1.7236   -2.5957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5601   -2.5630   -2.8224 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0012   -1.1946   -2.0523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3417   -0.0737   -2.3294 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5200    0.9825   -1.0191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0198    0.8908   -0.0485 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2083   -1.2512    0.0864 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7342   -1.1118    1.0527 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3328    0.8260    2.1479 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0903   -0.8089    3.3859 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9692   -1.6606    2.1321 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7211   -0.2415    3.0753 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3496    2.0925    0.4721 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3921    2.1079    1.8937 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7099    2.0576   -0.0563 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8456    0.7265   -0.8046 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8939   -0.7906    1.1046 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7542    0.6715    1.6410 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8601   -0.4015   -1.2398 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6134   -0.7395    1.2242 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3325   -0.5227   -0.4433 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2406   -1.8872   -0.1447 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1903    1.8912   -1.4501 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0854    2.0279    0.1621 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8113    1.2007   -1.2562 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
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 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
  4 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
 10 41  1  0
 10 42  1  0
 11 43  1  0
 11 44  1  0
 12 45  1  0
 12 46  1  0
 13 47  1  0
 13 48  1  0
 14 49  1  0
 15 50  1  0
 15 51  1  0
 15 52  1  0
 16 53  1  0
 16 54  1  0
 17 55  1  0
 17 56  1  0
 18 57  1  0
 18 58  1  0
 19 59  1  0
 20 60  1  0
 20 61  1  0
 20 62  1  0
 21 63  1  0
 21 64  1  0
 21 65  1  0
M  END

HEADER    PROTEIN                                 23-MAR-17   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-MAR-17         0                                  
HETATM    1  C   UNK     0      14.836  10.106   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      16.170   9.336   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      17.504  10.106   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      17.504  11.646   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      18.837   9.336   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      20.171  10.106   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      21.505   9.336   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      22.838  10.106   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      24.172   9.336   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      24.172   7.796   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      25.506  10.106   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      26.839   9.336   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      28.173  10.106   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      29.507   9.336   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      29.507   7.796   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      30.840  10.106   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      32.174   9.336   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      33.508  10.106   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      34.842   9.336   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      36.175  10.106   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      34.842   7.796   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19                                                            
MASTER        0    0    0    0    0    0    0    0   21    0   40    0
END

COMPND    HMDB0062787
HETATM    1  C1  UNL     1      -7.289   1.103  -1.321  1.00  0.00           C  
HETATM    2  C2  UNL     1      -6.604   1.701  -0.139  1.00  0.00           C  
HETATM    3  C3  UNL     1      -5.874   0.695   0.715  1.00  0.00           C  
HETATM    4  C4  UNL     1      -5.236   1.447   1.864  1.00  0.00           C  
HETATM    5  C5  UNL     1      -4.764   0.003  -0.058  1.00  0.00           C  
HETATM    6  C6  UNL     1      -4.111  -0.971   0.892  1.00  0.00           C  
HETATM    7  C7  UNL     1      -2.996  -1.732   0.229  1.00  0.00           C  
HETATM    8  C8  UNL     1      -1.916  -0.806  -0.267  1.00  0.00           C  
HETATM    9  C9  UNL     1      -0.787  -1.596  -0.924  1.00  0.00           C  
HETATM   10  C10 UNL     1      -1.383  -2.376  -2.095  1.00  0.00           C  
HETATM   11  C11 UNL     1       0.187  -0.626  -1.524  1.00  0.00           C  
HETATM   12  C12 UNL     1       0.798   0.303  -0.513  1.00  0.00           C  
HETATM   13  C13 UNL     1       1.519  -0.501   0.516  1.00  0.00           C  
HETATM   14  C14 UNL     1       2.186   0.323   1.595  1.00  0.00           C  
HETATM   15  C15 UNL     1       2.841  -0.618   2.552  1.00  0.00           C  
HETATM   16  C16 UNL     1       3.033   1.415   1.072  1.00  0.00           C  
HETATM   17  C17 UNL     1       4.173   1.087   0.198  1.00  0.00           C  
HETATM   18  C18 UNL     1       5.242   0.204   0.777  1.00  0.00           C  
HETATM   19  C19 UNL     1       6.296   0.053  -0.327  1.00  0.00           C  
HETATM   20  C20 UNL     1       7.432  -0.819   0.133  1.00  0.00           C  
HETATM   21  C21 UNL     1       6.841   1.408  -0.720  1.00  0.00           C  
HETATM   22  H1  UNL     1      -7.051   1.711  -2.234  1.00  0.00           H  
HETATM   23  H2  UNL     1      -8.396   1.146  -1.195  1.00  0.00           H  
HETATM   24  H3  UNL     1      -7.012   0.070  -1.526  1.00  0.00           H  
HETATM   25  H4  UNL     1      -5.861   2.484  -0.434  1.00  0.00           H  
HETATM   26  H5  UNL     1      -7.338   2.213   0.517  1.00  0.00           H  
HETATM   27  H6  UNL     1      -6.560  -0.074   1.073  1.00  0.00           H  
HETATM   28  H7  UNL     1      -5.969   2.216   2.183  1.00  0.00           H  
HETATM   29  H8  UNL     1      -5.067   0.789   2.741  1.00  0.00           H  
HETATM   30  H9  UNL     1      -4.317   1.975   1.544  1.00  0.00           H  
HETATM   31  H10 UNL     1      -3.980   0.742  -0.362  1.00  0.00           H  
HETATM   32  H11 UNL     1      -5.154  -0.584  -0.914  1.00  0.00           H  
HETATM   33  H12 UNL     1      -4.887  -1.654   1.308  1.00  0.00           H  
HETATM   34  H13 UNL     1      -3.718  -0.407   1.783  1.00  0.00           H  
HETATM   35  H14 UNL     1      -2.564  -2.418   1.015  1.00  0.00           H  
HETATM   36  H15 UNL     1      -3.357  -2.404  -0.564  1.00  0.00           H  
HETATM   37  H16 UNL     1      -2.301  -0.110  -1.014  1.00  0.00           H  
HETATM   38  H17 UNL     1      -1.520  -0.260   0.602  1.00  0.00           H  
HETATM   39  H18 UNL     1      -0.357  -2.292  -0.203  1.00  0.00           H  
HETATM   40  H19 UNL     1      -1.791  -3.345  -1.782  1.00  0.00           H  
HETATM   41  H20 UNL     1      -2.120  -1.724  -2.596  1.00  0.00           H  
HETATM   42  H21 UNL     1      -0.560  -2.563  -2.822  1.00  0.00           H  
HETATM   43  H22 UNL     1       1.001  -1.195  -2.052  1.00  0.00           H  
HETATM   44  H23 UNL     1      -0.342  -0.074  -2.329  1.00  0.00           H  
HETATM   45  H24 UNL     1       1.520   0.982  -1.019  1.00  0.00           H  
HETATM   46  H25 UNL     1      -0.020   0.891  -0.048  1.00  0.00           H  
HETATM   47  H26 UNL     1       2.208  -1.251   0.086  1.00  0.00           H  
HETATM   48  H27 UNL     1       0.734  -1.112   1.053  1.00  0.00           H  
HETATM   49  H28 UNL     1       1.333   0.826   2.148  1.00  0.00           H  
HETATM   50  H29 UNL     1       2.090  -0.809   3.386  1.00  0.00           H  
HETATM   51  H30 UNL     1       2.969  -1.661   2.132  1.00  0.00           H  
HETATM   52  H31 UNL     1       3.721  -0.241   3.075  1.00  0.00           H  
HETATM   53  H32 UNL     1       2.350   2.092   0.472  1.00  0.00           H  
HETATM   54  H33 UNL     1       3.392   2.108   1.894  1.00  0.00           H  
HETATM   55  H34 UNL     1       4.710   2.058  -0.056  1.00  0.00           H  
HETATM   56  H35 UNL     1       3.846   0.727  -0.805  1.00  0.00           H  
HETATM   57  H36 UNL     1       4.894  -0.791   1.105  1.00  0.00           H  
HETATM   58  H37 UNL     1       5.754   0.672   1.641  1.00  0.00           H  
HETATM   59  H38 UNL     1       5.860  -0.402  -1.240  1.00  0.00           H  
HETATM   60  H39 UNL     1       7.613  -0.740   1.224  1.00  0.00           H  
HETATM   61  H40 UNL     1       8.332  -0.523  -0.443  1.00  0.00           H  
HETATM   62  H41 UNL     1       7.241  -1.887  -0.145  1.00  0.00           H  
HETATM   63  H42 UNL     1       6.190   1.891  -1.450  1.00  0.00           H  
HETATM   64  H43 UNL     1       7.085   2.028   0.162  1.00  0.00           H  
HETATM   65  H44 UNL     1       7.811   1.201  -1.256  1.00  0.00           H  
CONECT    1    2   22   23   24
CONECT    2    3   25   26
CONECT    3    4    5   27
CONECT    4   28   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   11   39
CONECT   10   40   41   42
CONECT   11   12   43   44
CONECT   12   13   45   46
CONECT   13   14   47   48
CONECT   14   15   16   49
CONECT   15   50   51   52
CONECT   16   17   53   54
CONECT   17   18   55   56
CONECT   18   19   57   58
CONECT   19   20   21   59
CONECT   20   60   61   62
CONECT   21   63   64   65
END

HMDB0062787
     RDKit          3D
2,6,10,15-tetramethylheptadecane
 65 64  0  0  0  0  0  0  0  0999 V2000
   -7.2889    1.1029   -1.3208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6043    1.7014   -0.1392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8738    0.6955    0.7154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2360    1.4473    1.8642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7641    0.0032   -0.0579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1109   -0.9711    0.8920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9959   -1.7325    0.2291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9162   -0.8058   -0.2666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7869   -1.5960   -0.9242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3831   -2.3761   -2.0953 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1866   -0.6256   -1.5238 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7981    0.3034   -0.5131 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5190   -0.5007    0.5156 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1855    0.3227    1.5954 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8406   -0.6180    2.5518 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0329    1.4148    1.0718 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1730    1.0870    0.1977 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2415    0.2043    0.7773 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2958    0.0526   -0.3266 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4320   -0.8188    0.1328 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8406    1.4084   -0.7202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0513    1.7109   -2.2345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3961    1.1461   -1.1953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0119    0.0701   -1.5257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8606    2.4837   -0.4338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3376    2.2129    0.5172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5597   -0.0745    1.0728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9691    2.2156    2.1832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0673    0.7894    2.7408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3172    1.9754    1.5442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9805    0.7417   -0.3624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1541   -0.5844   -0.9139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8866   -1.6537    1.3078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7179   -0.4072    1.7828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5641   -2.4176    1.0151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3572   -2.4040   -0.5635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3014   -0.1103   -1.0143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5201   -0.2600    0.6022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3566   -2.2924   -0.2034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7907   -3.3453   -1.7818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1200   -1.7236   -2.5957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5601   -2.5630   -2.8224 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0012   -1.1946   -2.0523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3417   -0.0737   -2.3294 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5200    0.9825   -1.0191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0198    0.8908   -0.0485 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2083   -1.2512    0.0864 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7342   -1.1118    1.0527 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3328    0.8260    2.1479 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0903   -0.8089    3.3859 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9692   -1.6606    2.1321 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7211   -0.2415    3.0753 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3496    2.0925    0.4721 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3921    2.1079    1.8937 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7099    2.0576   -0.0563 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8456    0.7265   -0.8046 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8939   -0.7906    1.1046 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7542    0.6715    1.6410 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8601   -0.4015   -1.2398 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6134   -0.7395    1.2242 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3325   -0.5227   -0.4433 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2406   -1.8872   -0.1447 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1903    1.8912   -1.4501 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0854    2.0279    0.1621 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8113    1.2007   -1.2562 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
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 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
  4 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
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M  END

View in JSmol View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₂₁H₄₄

Average Molecular Weight

296.583

Monoisotopic Molecular Weight

296.344301417

IUPAC Name

2,6,10,15-tetramethylheptadecane

Traditional Name

2,6,10,15-tetramethylheptadecane

CAS Registry Number

Not Available

SMILES

CCC(C)CCCCC(C)CCCC(C)CCCC(C)C

InChI Identifier

InChI=1S/C21H44/c1-7-19(4)13-8-9-14-20(5)16-11-17-21(6)15-10-12-18(2)3/h18-21H,7-17H2,1-6H3

InChI Key

ZZEQNXPBKOFTBG-UHFFFAOYSA-N

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

Branched alkanes

Substituents

Farsesane sesquiterpenoid
Sesquiterpenoid
Branched alkane
Acyclic alkane
Saturated hydrocarbon
Alkane
Hydrocarbon
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

long-chain alkane (CHEBI:84230 )
Hydrocarbons (LMFA11000601 )

Ontology

Not Available

Not Available

Not Available

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	5.4e-06 g/l	ALOGPS
LogP	9.38	ALOGPS

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	9.38	ALOGPS
logP	9.17	ChemAxon
logS	-7.7	ALOGPS
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	14	ChemAxon
Refractivity	98.21 m³·mol⁻¹	ChemAxon
Polarizability	42.06 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]+	177.936	31661259
DarkChem	[M-H]-	176.707	31661259
DeepCCS	[M+H]+	185.162	30932474
DeepCCS	[M-H]-	182.804	30932474
DeepCCS	[M-2H]-	216.044	30932474
DeepCCS	[M+Na]+	191.388	30932474
AllCCS	[M+H]+	191.3	32859911
AllCCS	[M+H-H2O]+	188.6	32859911
AllCCS	[M+NH4]+	193.8	32859911
AllCCS	[M+Na]+	194.5	32859911
AllCCS	[M-H]-	186.0	32859911
AllCCS	[M+Na-2H]-	188.2	32859911
AllCCS	[M+HCOO]-	190.8	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
2,6,10,15-tetramethylheptadecane	CCC(C)CCCCC(C)CCCC(C)CCCC(C)C	1803.9	Standard polar	33892256
2,6,10,15-tetramethylheptadecane	CCC(C)CCCCC(C)CCCC(C)CCCC(C)C	1907.0	Standard non polar	33892256
2,6,10,15-tetramethylheptadecane	CCC(C)CCCCC(C)CCCC(C)CCCC(C)C	1902.8	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 2,6,10,15-tetramethylheptadecane GC-MS (Non-derivatized) - 70eV, Positive	splash10-06sl-7970000000-1d0b19d2ce763bdeea10	2017-09-20	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2,6,10,15-tetramethylheptadecane 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 - 2,6,10,15-tetramethylheptadecane 10V, Positive-QTOF	splash10-0002-0190000000-086edcd8fd83f3354442	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2,6,10,15-tetramethylheptadecane 20V, Positive-QTOF	splash10-054t-9860000000-698660a427fc9818f8bd	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2,6,10,15-tetramethylheptadecane 40V, Positive-QTOF	splash10-0a4i-9200000000-1da9ae962801cf8dffa4	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2,6,10,15-tetramethylheptadecane 10V, Negative-QTOF	splash10-0002-0090000000-9abfbdbed7666a5695f7	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2,6,10,15-tetramethylheptadecane 20V, Negative-QTOF	splash10-0002-0090000000-4007742fdd84d484195d	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2,6,10,15-tetramethylheptadecane 40V, Negative-QTOF	splash10-0bvi-3690000000-7409e4e9a30b6ad85b3a	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2,6,10,15-tetramethylheptadecane 10V, Positive-QTOF	splash10-0002-3090000000-4b2b4f328ec0912004b5	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2,6,10,15-tetramethylheptadecane 20V, Positive-QTOF	splash10-059b-9210000000-9f4f65d19006b1ddf0bf	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2,6,10,15-tetramethylheptadecane 40V, Positive-QTOF	splash10-0abc-9000000000-abf7ed96a266e9ec408e	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2,6,10,15-tetramethylheptadecane 10V, Negative-QTOF	splash10-0002-0090000000-4f5b7d0ce45cf76fc3f9	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2,6,10,15-tetramethylheptadecane 20V, Negative-QTOF	splash10-0002-0090000000-4f5b7d0ce45cf76fc3f9	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2,6,10,15-tetramethylheptadecane 40V, Negative-QTOF	splash10-000b-0190000000-f696395600303f0a65a5	2021-09-24	Wishart Lab	View Spectrum

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

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

41209

PDB ID

Not Available

ChEBI ID

84230

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

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 ]
Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.

Showing metabocard for 2,6,10,15-tetramethylheptadecane (HMDB0062787)

MOL for HMDB0062787 (2,6,10,15-tetramethylheptadecane)

3D MOL for HMDB0062787 (2,6,10,15-tetramethylheptadecane)

3D SDF for HMDB0062787 (2,6,10,15-tetramethylheptadecane)

3D-SDF for HMDB0062787 (2,6,10,15-tetramethylheptadecane)

PDB for HMDB0062787 (2,6,10,15-tetramethylheptadecane)

3D PDB for HMDB0062787 (2,6,10,15-tetramethylheptadecane)

SMILES for HMDB0062787 (2,6,10,15-tetramethylheptadecane)

INCHI for HMDB0062787 (2,6,10,15-tetramethylheptadecane)

Structure for HMDB0062787 (2,6,10,15-tetramethylheptadecane)

3D Structure for HMDB0062787 (2,6,10,15-tetramethylheptadecane)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

GC-MS Spectra

MS/MS Spectra