Mrv0541 05081410412D          

 27 26  0  0  0  0            999 V2000
    4.6521    0.9751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6521    0.1499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9375    1.3876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9375   -0.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2229    0.9751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2229    0.1499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667    1.3876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812    0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3666   -0.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812    0.1499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7957    1.3874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5102    0.9748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7956   -0.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5101    0.1498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2247    1.3872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9390    0.9745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2244   -0.2627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9389    0.1496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6535    1.3868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3678    0.9742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6532   -0.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3676    0.1494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0822    1.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7964    0.9738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0818   -0.2632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5168    1.3777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5168    2.2028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  1  0  0  0  0
 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 12 11  1  0  0  0  0
 13 10  1  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
 16 15  1  0  0  0  0
 17 14  1  0  0  0  0
 18 17  1  0  0  0  0
 19 16  1  0  0  0  0
 20 19  1  0  0  0  0
 21 18  1  0  0  0  0
 22 21  1  0  0  0  0
 23 20  1  0  0  0  0
 24 23  1  0  0  0  0
 25 22  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
> <ID>
CHEBI:28415

> <NAME>
hexacosan-1-ol

> <DEFINITION>
A very long-chain primary fatty alcohol that is hexacosane in which a hydrogen attached to one of the terminal carbons is replaced by a hydroxy group.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:5694; CHEBI:24537

> <SYNONYM>
n-hexacosanol; hexacosyl alcohol; Hexacosan-1-ol; cerylic alcohol; ceryl alcohol; cerotyl alcohol; 1-hydroxyhexacosane; 1-hexacosanol

> <IUPAC_NAME>
hexacosan-1-ol

> <FORMULA>
C26H54O

> <MASS>
382.70640

> <MONOISOTOPIC_MASS>
382.41747

> <CHARGE>
0

> <SMILES>
CCCCCCCCCCCCCCCCCCCCCCCCCCO

> <INCHI>
InChI=1S/C26H54O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27/h27H,2-26H2,1H3

> <INCHIKEY>
IRHTZOCLLONTOC-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1783162

> <CAS_REGISTRY_NUMBER>
506-52-5

> <REAXYS_REGISTRY_NUMBER>
1783162

> <CHEMIDPLUS>
506-52-5

> <KEGG_COMPOUND_ACCESSION>
C08381

> <KNAPSACK_ACCESSION>
C00001255

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA05000002

> <NIST_CHEMISTRY_WEBBOOK>
506-52-5

> <WIKIPEDIA_ACCESSION>
1-Hexacosanol

> <AGRICOLA_CITATION>
IND607418673; IND607771787

> <CHINESE_ABSTRACTS_CITATION>
357361

> <PUBMED_CITATION>
12916085; 15814229; 18000340; 18404565; 19731141; 21485271; 21823454; 27916676; 28344474; 29886159; 36228969; 36518632; 7768265

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