Ketcher 11092315132D 1   1.00000     0.00000     0

 27 26  0     0  0            999 V2000
   16.3328  -17.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0027  -17.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4668  -17.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8687  -17.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6008  -17.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7348  -17.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1988  -17.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0649  -17.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1366  -17.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2706  -17.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9309  -17.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7969  -17.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4046  -17.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5386  -17.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6630  -17.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5290  -17.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6726  -17.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8066  -17.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3950  -17.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2610  -17.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9405  -17.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0744  -17.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1271  -17.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2084  -17.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3424  -17.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9931  -17.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2610  -16.0612    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 19  1  0     0  0
 21 18  1  0     0  0
 22 21  1  0     0  0
 23 20  1  0     0  0
 24 22  1  0     0  0
 25 24  1  0     0  0
 23 26  1  0     0  0
 20 27  1  0     0  0
M  END
> <ID>
CHEBI:228191

> <NAME>
hexacosan-3-ol

> <DEFINITION>
A secondary fatty alcohol that is hexacosane substituted by a hydroxy group at position 3.

> <STAR>
3

> <SYNONYM>
3-hydroxyhexacosane; 3-hexacosanol

> <IUPAC_NAME>
hexacosan-3-ol

> <FORMULA>
C26H54O

> <MASS>
382.717

> <MONOISOTOPIC_MASS>
382.41747

> <CHARGE>
0

> <SMILES>
CCCCCCCCCCCCCCCCCCCCCCCC(O)CC

> <INCHI>
InChI=1S/C26H54O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)4-2/h26-27H,3-25H2,1-2H3

> <INCHIKEY>
XGMKXPJGMIYYNI-UHFFFAOYSA-N

> <PUBMED_CITATION>
34221080; 34572644

$$$$