NP-MRD: Showing NP-Card for Arachidyl alcohol (NP0000317)

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Record Information

Version

1.0

Created at

2009-01-29 15:55:51 UTC

Updated at

2021-06-30 02:06:18 UTC

NP-MRD ID

NP0000317

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Arachidyl alcohol

Description

Arachidyl alcohol, also known as 1-eicosanol or eicosyl alcohol, 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, arachidyl alcohol is considered to be a fatty alcohol lipid molecule. Arachidyl alcohol is a very hydrophobic molecule, practically insoluble in water and relatively neutral.

Structure

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

HMDB0011619
     RDKit          3D
Arachidyl alcohol
 63 62  0  0  0  0  0  0  0  0999 V2000
    7.3186    1.4078   -0.6004 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0137    0.1026   -0.7941 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1429   -1.0171   -0.2563 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9024   -0.7672    1.2407 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   -1.8710    1.7578 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7741   -2.0533    1.1177 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6886   -1.0810    1.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8047    0.2517    0.5287 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4592    0.9914    0.6748 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3295    0.2979   -0.0133 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0245    1.0983    0.1478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0915    0.3666   -0.5598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3484    1.1595   -0.3916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5260    0.4908   -1.0765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7935    1.3021   -0.8999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9616    0.6538   -1.5703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3032   -0.7015   -1.0878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6592   -0.8325    0.3398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8311   -0.0563    0.8188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1339   -0.3603    0.1637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1607   -0.1409   -1.2074 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6444    2.1841   -1.3460 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5401    1.7787    0.4334 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2182    1.3151   -0.6657 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2402   -0.1332   -1.8430 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9788    0.0344   -0.2338 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1610   -1.0283   -0.7951 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6176   -1.9892   -0.4378 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9584   -0.8313    1.7141 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5430    0.2551    1.3429 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6708   -2.8220    1.5515 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0291   -1.8896    2.8879 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3069   -3.0227    1.5537 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9851   -2.4442    0.0481 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2082   -0.9995    2.1526 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -1.5975    0.5461 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5156    0.9665    0.9857 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0121    0.2503   -0.5611 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2282    1.1189    1.7523 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5456    2.0153    0.2589 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0940   -0.6900    0.4798 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4926    0.1070   -1.0703 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1882    2.0804   -0.3216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2017    1.2697    1.2175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2542   -0.6262   -0.0955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8399    0.3015   -1.6309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5809    1.2293    0.7002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2262    2.2146   -0.7312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6172   -0.5198   -0.6269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2860    0.3751   -2.1476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9250    1.4641    0.1758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6084    2.2722   -1.4336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6872    0.5556   -2.6627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8559    1.3087   -1.5666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4289   -1.3966   -1.2649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1156   -1.1273   -1.7081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8112   -0.6470    1.0414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9084   -1.9237    0.5122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6868    1.0415    0.7970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9617   -0.3069    1.9085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5317   -1.3660    0.4103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8849    0.3588    0.5990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3070    0.8394   -1.3729 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  1  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
  9 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
 14 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
 19 60  1  0
 20 61  1  0
 20 62  1  0
 21 63  1  0
M  END


  Mrv1652305271900032D          

 21 20  0  0  0  0            999 V2000
   17.8498   -8.9121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1353   -9.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4208   -8.9121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2748   -9.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9893   -8.9121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7064   -9.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1327   -9.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8472   -8.9121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8485   -9.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9919   -8.9121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7038   -9.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4182   -8.9121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2774   -9.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9906   -9.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7050   -8.9121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4195   -9.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1340   -8.9121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5617   -9.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2761   -8.9121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5629   -8.9121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5603   -8.9121    0.0000 C   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
  6  3  1  0  0  0  0
  5  4  1  0  0  0  0
 21  4  1  0  0  0  0
 11  5  1  0  0  0  0
 10  6  1  0  0  0  0
  8  7  1  0  0  0  0
 12  7  1  0  0  0  0
 18  8  1  0  0  0  0
 20  9  1  0  0  0  0
 17  9  1  0  0  0  0
 13 10  1  0  0  0  0
 12 11  1  0  0  0  0
 20 13  1  0  0  0  0
 15 14  1  0  0  0  0
 19 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 19 18  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0000317

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCCCCCCCCCCCCCCO

> <INCHI_IDENTIFIER>
InChI=1S/C20H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h21H,2-20H2,1H3

> <INCHI_KEY>
BTFJIXJJCSYFAL-UHFFFAOYSA-N

> <FORMULA>
C20H42O

> <MOLECULAR_WEIGHT>
298.5469

> <EXACT_MASS>
298.323565966

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
63

> <JCHEM_AVERAGE_POLARIZABILITY>
42.9447564330946

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
icosan-1-ol

> <ALOGPS_LOGP>
8.90

> <JCHEM_LOGP>
7.918420586

> <ALOGPS_LOGS>
-7.04

> <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>
95.75089999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
18

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.72e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
arachidyl alcohol

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0011619
     RDKit          3D
Arachidyl alcohol
 63 62  0  0  0  0  0  0  0  0999 V2000
    7.3186    1.4078   -0.6004 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0137    0.1026   -0.7941 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1429   -1.0171   -0.2563 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9024   -0.7672    1.2407 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   -1.8710    1.7578 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7741   -2.0533    1.1177 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6886   -1.0810    1.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8047    0.2517    0.5287 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4592    0.9914    0.6748 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3295    0.2979   -0.0133 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0245    1.0983    0.1478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0915    0.3666   -0.5598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3484    1.1595   -0.3916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5260    0.4908   -1.0765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7935    1.3021   -0.8999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9616    0.6538   -1.5703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3032   -0.7015   -1.0878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6592   -0.8325    0.3398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8311   -0.0563    0.8188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1339   -0.3603    0.1637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1607   -0.1409   -1.2074 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6444    2.1841   -1.3460 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5401    1.7787    0.4334 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2182    1.3151   -0.6657 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2402   -0.1332   -1.8430 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9788    0.0344   -0.2338 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1610   -1.0283   -0.7951 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6176   -1.9892   -0.4378 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9584   -0.8313    1.7141 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5430    0.2551    1.3429 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6708   -2.8220    1.5515 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0291   -1.8896    2.8879 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3069   -3.0227    1.5537 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9851   -2.4442    0.0481 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2082   -0.9995    2.1526 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -1.5975    0.5461 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5156    0.9665    0.9857 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0121    0.2503   -0.5611 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2282    1.1189    1.7523 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5456    2.0153    0.2589 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0940   -0.6900    0.4798 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4926    0.1070   -1.0703 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1882    2.0804   -0.3216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2017    1.2697    1.2175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2542   -0.6262   -0.0955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8399    0.3015   -1.6309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5809    1.2293    0.7002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2262    2.2146   -0.7312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6172   -0.5198   -0.6269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2860    0.3751   -2.1476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9250    1.4641    0.1758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6084    2.2722   -1.4336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6872    0.5556   -2.6627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8559    1.3087   -1.5666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4289   -1.3966   -1.2649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1156   -1.1273   -1.7081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8112   -0.6470    1.0414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9084   -1.9237    0.5122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6868    1.0415    0.7970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9617   -0.3069    1.9085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5317   -1.3660    0.4103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8849    0.3588    0.5990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3070    0.8394   -1.3729 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  1  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
  9 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
 14 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
 19 60  1  0
 20 61  1  0
 20 62  1  0
 21 63  1  0
M  END

HEADER    PROTEIN                                 27-MAY-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-MAY-19         0                                  
HETATM    1  O   UNK     0      33.320 -16.636   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      31.986 -17.406   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      30.652 -16.636   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       7.980 -17.406   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       9.313 -16.636   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      29.319 -17.406   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      13.314 -17.406   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      14.648 -16.636   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      23.984 -17.406   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      27.985 -16.636   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      10.647 -17.406   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      11.981 -16.636   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      26.651 -17.406   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      18.649 -17.406   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      19.983 -16.636   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      21.316 -17.406   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      22.650 -16.636   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      15.982 -17.406   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      17.315 -16.636   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      25.317 -16.636   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.646 -16.636   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    6                                                       
CONECT    4    5   21                                                       
CONECT    5    4   11                                                       
CONECT    6    3   10                                                       
CONECT    7    8   12                                                       
CONECT    8    7   18                                                       
CONECT    9   20   17                                                       
CONECT   10    6   13                                                       
CONECT   11    5   12                                                       
CONECT   12    7   11                                                       
CONECT   13   10   20                                                       
CONECT   14   15   19                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17    9   16                                                       
CONECT   18    8   19                                                       
CONECT   19   14   18                                                       
CONECT   20    9   13                                                       
CONECT   21    4                                                            
MASTER        0    0    0    0    0    0    0    0   21    0   40    0
END

COMPND    HMDB0011619
HETATM    1  C1  UNL     1       7.319   1.408  -0.600  1.00  0.00           C  
HETATM    2  C2  UNL     1       8.014   0.103  -0.794  1.00  0.00           C  
HETATM    3  C3  UNL     1       7.143  -1.017  -0.256  1.00  0.00           C  
HETATM    4  C4  UNL     1       6.902  -0.767   1.241  1.00  0.00           C  
HETATM    5  C5  UNL     1       6.062  -1.871   1.758  1.00  0.00           C  
HETATM    6  C6  UNL     1       4.774  -2.053   1.118  1.00  0.00           C  
HETATM    7  C7  UNL     1       3.689  -1.081   1.114  1.00  0.00           C  
HETATM    8  C8  UNL     1       3.805   0.252   0.529  1.00  0.00           C  
HETATM    9  C9  UNL     1       2.459   0.991   0.675  1.00  0.00           C  
HETATM   10  C10 UNL     1       1.330   0.298  -0.013  1.00  0.00           C  
HETATM   11  C11 UNL     1       0.025   1.098   0.148  1.00  0.00           C  
HETATM   12  C12 UNL     1      -1.091   0.367  -0.560  1.00  0.00           C  
HETATM   13  C13 UNL     1      -2.348   1.159  -0.392  1.00  0.00           C  
HETATM   14  C14 UNL     1      -3.526   0.491  -1.077  1.00  0.00           C  
HETATM   15  C15 UNL     1      -4.794   1.302  -0.900  1.00  0.00           C  
HETATM   16  C16 UNL     1      -5.962   0.654  -1.570  1.00  0.00           C  
HETATM   17  C17 UNL     1      -6.303  -0.702  -1.088  1.00  0.00           C  
HETATM   18  C18 UNL     1      -6.659  -0.833   0.340  1.00  0.00           C  
HETATM   19  C19 UNL     1      -7.831  -0.056   0.819  1.00  0.00           C  
HETATM   20  C20 UNL     1      -9.134  -0.360   0.164  1.00  0.00           C  
HETATM   21  O1  UNL     1      -9.161  -0.141  -1.207  1.00  0.00           O  
HETATM   22  H1  UNL     1       7.644   2.184  -1.346  1.00  0.00           H  
HETATM   23  H2  UNL     1       7.540   1.779   0.433  1.00  0.00           H  
HETATM   24  H3  UNL     1       6.218   1.315  -0.666  1.00  0.00           H  
HETATM   25  H4  UNL     1       8.240  -0.133  -1.843  1.00  0.00           H  
HETATM   26  H5  UNL     1       8.979   0.034  -0.234  1.00  0.00           H  
HETATM   27  H6  UNL     1       6.161  -1.028  -0.795  1.00  0.00           H  
HETATM   28  H7  UNL     1       7.618  -1.989  -0.438  1.00  0.00           H  
HETATM   29  H8  UNL     1       7.958  -0.831   1.714  1.00  0.00           H  
HETATM   30  H9  UNL     1       6.543   0.255   1.343  1.00  0.00           H  
HETATM   31  H10 UNL     1       6.671  -2.822   1.551  1.00  0.00           H  
HETATM   32  H11 UNL     1       6.029  -1.890   2.888  1.00  0.00           H  
HETATM   33  H12 UNL     1       4.307  -3.023   1.554  1.00  0.00           H  
HETATM   34  H13 UNL     1       4.985  -2.444   0.048  1.00  0.00           H  
HETATM   35  H14 UNL     1       3.208  -0.999   2.153  1.00  0.00           H  
HETATM   36  H15 UNL     1       2.829  -1.597   0.546  1.00  0.00           H  
HETATM   37  H16 UNL     1       4.516   0.966   0.986  1.00  0.00           H  
HETATM   38  H17 UNL     1       4.012   0.250  -0.561  1.00  0.00           H  
HETATM   39  H18 UNL     1       2.228   1.119   1.752  1.00  0.00           H  
HETATM   40  H19 UNL     1       2.546   2.015   0.259  1.00  0.00           H  
HETATM   41  H20 UNL     1       1.094  -0.690   0.480  1.00  0.00           H  
HETATM   42  H21 UNL     1       1.493   0.107  -1.070  1.00  0.00           H  
HETATM   43  H22 UNL     1       0.188   2.080  -0.322  1.00  0.00           H  
HETATM   44  H23 UNL     1      -0.202   1.270   1.217  1.00  0.00           H  
HETATM   45  H24 UNL     1      -1.254  -0.626  -0.095  1.00  0.00           H  
HETATM   46  H25 UNL     1      -0.840   0.301  -1.631  1.00  0.00           H  
HETATM   47  H26 UNL     1      -2.581   1.229   0.700  1.00  0.00           H  
HETATM   48  H27 UNL     1      -2.226   2.215  -0.731  1.00  0.00           H  
HETATM   49  H28 UNL     1      -3.617  -0.520  -0.627  1.00  0.00           H  
HETATM   50  H29 UNL     1      -3.286   0.375  -2.148  1.00  0.00           H  
HETATM   51  H30 UNL     1      -4.925   1.464   0.176  1.00  0.00           H  
HETATM   52  H31 UNL     1      -4.608   2.272  -1.434  1.00  0.00           H  
HETATM   53  H32 UNL     1      -5.687   0.556  -2.663  1.00  0.00           H  
HETATM   54  H33 UNL     1      -6.856   1.309  -1.567  1.00  0.00           H  
HETATM   55  H34 UNL     1      -5.429  -1.397  -1.265  1.00  0.00           H  
HETATM   56  H35 UNL     1      -7.116  -1.127  -1.708  1.00  0.00           H  
HETATM   57  H36 UNL     1      -5.811  -0.647   1.041  1.00  0.00           H  
HETATM   58  H37 UNL     1      -6.908  -1.924   0.512  1.00  0.00           H  
HETATM   59  H38 UNL     1      -7.687   1.041   0.797  1.00  0.00           H  
HETATM   60  H39 UNL     1      -7.962  -0.307   1.908  1.00  0.00           H  
HETATM   61  H40 UNL     1      -9.532  -1.366   0.410  1.00  0.00           H  
HETATM   62  H41 UNL     1      -9.885   0.359   0.599  1.00  0.00           H  
HETATM   63  H42 UNL     1      -9.307   0.839  -1.373  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   39   40
CONECT   10   11   41   42
CONECT   11   12   43   44
CONECT   12   13   45   46
CONECT   13   14   47   48
CONECT   14   15   49   50
CONECT   15   16   51   52
CONECT   16   17   53   54
CONECT   17   18   55   56
CONECT   18   19   57   58
CONECT   19   20   59   60
CONECT   20   21   61   62
CONECT   21   63
END

HMDB0011619
     RDKit          3D
Arachidyl alcohol
 63 62  0  0  0  0  0  0  0  0999 V2000
    7.3186    1.4078   -0.6004 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0137    0.1026   -0.7941 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1429   -1.0171   -0.2563 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9024   -0.7672    1.2407 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   -1.8710    1.7578 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7741   -2.0533    1.1177 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6886   -1.0810    1.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8047    0.2517    0.5287 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4592    0.9914    0.6748 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3295    0.2979   -0.0133 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0245    1.0983    0.1478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0915    0.3666   -0.5598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3484    1.1595   -0.3916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5260    0.4908   -1.0765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7935    1.3021   -0.8999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9616    0.6538   -1.5703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3032   -0.7015   -1.0878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6592   -0.8325    0.3398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8311   -0.0563    0.8188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1339   -0.3603    0.1637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1607   -0.1409   -1.2074 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6444    2.1841   -1.3460 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5401    1.7787    0.4334 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2182    1.3151   -0.6657 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2402   -0.1332   -1.8430 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9788    0.0344   -0.2338 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1610   -1.0283   -0.7951 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6176   -1.9892   -0.4378 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9584   -0.8313    1.7141 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5430    0.2551    1.3429 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6708   -2.8220    1.5515 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0291   -1.8896    2.8879 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3069   -3.0227    1.5537 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9851   -2.4442    0.0481 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2082   -0.9995    2.1526 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -1.5975    0.5461 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5156    0.9665    0.9857 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0121    0.2503   -0.5611 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2282    1.1189    1.7523 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5456    2.0153    0.2589 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0940   -0.6900    0.4798 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4926    0.1070   -1.0703 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1882    2.0804   -0.3216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2017    1.2697    1.2175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2542   -0.6262   -0.0955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8399    0.3015   -1.6309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5809    1.2293    0.7002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2262    2.2146   -0.7312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6172   -0.5198   -0.6269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2860    0.3751   -2.1476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9250    1.4641    0.1758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6084    2.2722   -1.4336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6872    0.5556   -2.6627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8559    1.3087   -1.5666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4289   -1.3966   -1.2649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1156   -1.1273   -1.7081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8112   -0.6470    1.0414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9084   -1.9237    0.5122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6868    1.0415    0.7970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9617   -0.3069    1.9085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5317   -1.3660    0.4103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8849    0.3588    0.5990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3070    0.8394   -1.3729 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  1  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
  9 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
 14 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
 19 60  1  0
 20 61  1  0
 20 62  1  0
 21 63  1  0
M  END

View in JSmol View NMR Assignments

Synonyms

Value	Source
1-Eicosanol	ChEBI
Arachidic alcohol	ChEBI
Eicosan-1-ol	ChEBI
Eicosyl alcohol	ChEBI
1-Icosanol	HMDB
1-Icosanol (acd/name 4.0)	HMDB
1-Prydroxyeicosane	HMDB
Arachic alcohol	HMDB
Eicosanol	HMDB
Eicosanol-(1)	HMDB
N-1-Eicosanol	HMDB
N-Eicosanol	HMDB
Arachidyl alcohol	ChEBI

Chemical Formula

C₂₀H₄₂O

Average Mass

298.5469 Da

Monoisotopic Mass

298.32357 Da

IUPAC Name

icosan-1-ol

Traditional Name

arachidyl alcohol

CAS Registry Number

629-96-9

SMILES

CCCCCCCCCCCCCCCCCCCCO

InChI Identifier

InChI=1S/C20H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h21H,2-20H2,1H3

InChI Key

BTFJIXJJCSYFAL-UHFFFAOYSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, 100%_DMSO, experimental)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Aesculus chinensis	LOTUS Database	35616633
Anas platyrhynchos	FooDB	FooDB
Anatidae	FooDB	FooDB
Anser anser	FooDB	FooDB
Arabidopsis thaliana	Plant	KNApSAcK
Artemisia baldshuanica	LOTUS Database	35616633
Bison bison	FooDB	FooDB
Bos taurus	FooDB	FooDB
Bos taurus X Bison bison	FooDB	FooDB
Bubalus bubalis	FooDB	FooDB
Capra aegagrus hircus	FooDB	FooDB
Cervidae	FooDB	FooDB
Cervus canadensis	FooDB	FooDB
Columba	FooDB	FooDB
Columbidae	FooDB	FooDB
Convolvulus arvensis	LOTUS Database	35616633
Crataegus monogyna	LOTUS Database	35616633
Dromaius novaehollandiae	FooDB	FooDB
Equus caballus	FooDB	FooDB
Eucalyptus globulus	LOTUS Database	35616633
Gallus gallus	FooDB	FooDB
Hamamelis virginiana	LOTUS Database	35616633
Hibiscus cannabinus	LOTUS Database	35616633
Hypericum carinatum	Plant	KNApSAcK
Lagopus muta	FooDB	FooDB
Leporidae	FooDB	FooDB
Lepus timidus	FooDB	FooDB
Linum usitatissimum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Lonicera japonica	LOTUS Database	35616633
Melanitta fusca	FooDB	FooDB
Meleagris gallopavo	FooDB	FooDB
Mikania campanulata	LOTUS Database	35616633
Nelumbo nucifera	LOTUS Database	35616633
Numida meleagris	FooDB	FooDB
Odocoileus	FooDB	FooDB
Oryctolagus	FooDB	FooDB
Ovis aries	FooDB	FooDB
Paronychia kapela	LOTUS Database	35616633
Phasianidae	FooDB	FooDB
Phasianus colchicus	FooDB	FooDB
Phyllanthus emblica	LOTUS Database	35616633
Pinus sibirica	Plant	KNApSAcK
Plumeria rubra	LOTUS Database	35616633
Pyracantha angustifolia	LOTUS Database	35616633
Ruta graveolens	LOTUS Database	35616633
Sambucus nigra	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Saussurea medusa	LOTUS Database	35616633
Solanum tuberosum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Struthio camelus	FooDB	FooDB
Sus scrofa	FooDB	FooDB
Sus scrofa domestica	FooDB	FooDB
Tanacetum longifolium	LOTUS Database	35616633

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

long-chain primary fatty alcohol (CHEBI:75627 )
fatty alcohol 20:0 (CHEBI:75627 )
Fatty alcohols (LMFA05000221 )
a long-chain alcohol (CPD-7869 )
a primary alcohol (CPD-7869 )
a fatty alcohol (CPD-7869 )

Physical Properties

State

Solid

Experimental Properties

Property	Value	Reference
Melting Point	66.1 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	2.7e-05 g/L	ALOGPS
logP	8.9	ALOGPS
logP	7.92	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	18	ChemAxon
Refractivity	95.75 m³·mol⁻¹	ChemAxon
Polarizability	42.94 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

External Links

HMDB ID

HMDB0011619

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB007106

KNApSAcK ID

C00035094

Chemspider ID

11898

KEGG Compound ID

Not Available

BioCyc ID

CPD-7869

BiGG ID

Not Available

Wikipedia Link

Arachidyl_alcohol

METLIN ID

Not Available

PubChem Compound

12404

PDB ID

Not Available

ChEBI ID

75627

Good Scents ID

rw1154031

References

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 ]
Miklaszewska M, Banas A, Krolicka A: Metabolic engineering of fatty alcohol production in transgenic hairy roots of Crambe abyssinica. Biotechnol Bioeng. 2017 Jun;114(6):1275-1282. doi: 10.1002/bit.26234. Epub 2017 Feb 8. [PubMed:27943249 ]
Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.

Showing NP-Card for Arachidyl alcohol (NP0000317)

MOL for NP0000317 (Arachidyl alcohol)

3D MOL for NP0000317 (Arachidyl alcohol)

3D SDF for NP0000317 (Arachidyl alcohol)

3D-SDF for NP0000317 (Arachidyl alcohol)

PDB for NP0000317 (Arachidyl alcohol)

3D PDB for NP0000317 (Arachidyl alcohol)

SMILES for NP0000317 (Arachidyl alcohol)

INCHI for NP0000317 (Arachidyl alcohol)

Structure for NP0000317 (Arachidyl alcohol)

3D Structure for NP0000317 (Arachidyl alcohol)