Ketcher 10232312182D 1   1.00000     0.00000     0

 21 20  0     0  0            999 V2000
    0.7226   -6.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7226   -5.4699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1436   -6.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1436   -4.9699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0097   -6.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0097   -5.4699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5887   -6.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4548   -6.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5887   -4.9699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4548   -5.4699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3209   -6.9699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1868   -6.4697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3206   -4.9698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1867   -5.4698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0528   -6.9695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9187   -6.4694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0526   -4.9697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9185   -5.4696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7846   -6.9691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7843   -4.9695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6502   -5.4692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0     0  0
  4  2  1  0     0  0
  5  3  1  0     0  0
  6  4  1  0     0  0
  6  5  1  0     0  0
  7  1  1  0     0  0
  8  7  1  0     0  0
  9  2  1  0     0  0
 10  9  1  0     0  0
 11  8  1  0     0  0
 12 11  1  0     0  0
 13 10  1  0     0  0
 14 13  1  0     0  0
 15 12  1  0     0  0
 16 15  1  0     0  0
 17 14  1  0     0  0
 18 17  1  0     0  0
 19 16  1  0     0  0
 20 18  1  0     0  0
 21 20  1  0     0  0
M  END
> <ID>
CHEBI:75627

> <NAME>
icosan-1-ol

> <DEFINITION>
A long-chain primary fatty alcohol that is icosane in which one of the terminal methyl hydrogens is replaced by a hydroxy group.

> <STAR>
3

> <SYNONYM>
n-eicosanol; n-1-eicosanol; eicosyl alcohol; eicosanol-(1); eicosanol; eicosan-1-ol; eicosan-1-ol; arachidyl alcohol; arachidic alcohol; arachic alcohol; 1-icosanol; 1-eicosanol

> <IUPAC_NAME>
icosan-1-ol

> <FORMULA>
C20H42O

> <MASS>
298.555

> <MONOISOTOPIC_MASS>
298.32357

> <CHARGE>
0

> <SMILES>
CCCCCCCCCCCCCCCCCCCCO

> <INCHI>
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

> <INCHIKEY>
BTFJIXJJCSYFAL-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
629-96-9

> <REAXYS_REGISTRY_NUMBER>
1705104

> <KNAPSACK_ACCESSION>
C00035094

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA05000221

> <METACYC_ACCESSION>
CPD-7869

> <NIST_CHEMISTRY_WEBBOOK>
629-96-9

> <WIKIPEDIA_ACCESSION>
Arachidyl_alcohol

> <AGRICOLA_CITATION>
IND601331134

> <PUBMED_CITATION>
10777893; 18515230; 24421258; 25364658; 30772670; 33100100; 35613215; 36840197; 37102467; 37111302

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