Mrv0541 05081412092D          

 29 28  0  0  0  0            999 V2000
    0.4172   -6.8293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4172   -6.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2974   -7.2419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2974   -5.5916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0120   -6.8293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0120   -6.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1317   -7.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8463   -6.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1317   -5.5916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8462   -6.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5608   -7.2416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2752   -6.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5607   -5.5916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2752   -6.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9897   -7.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7041   -6.8288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9895   -5.5915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7040   -6.0039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4185   -7.2411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1328   -6.8285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4182   -5.5913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1327   -6.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8472   -7.2407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5614   -6.8281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8468   -5.5911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2818   -7.2319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5660   -6.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2818   -5.5911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2818   -4.7660    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
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
> <ID>
CHEBI:28243

> <NAME>
octacosan-1-ol

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

> <STAR>
3

> <SECONDARY_ID>
CHEBI:7721; CHEBI:25625

> <SYNONYM>
octacosyl alcohol; Octacosanol; Octacosan-1-ol; n-octacosanol; montanyl alcohol; 1-Octacosanol

> <IUPAC_NAME>
octacosan-1-ol

> <FORMULA>
C28H58O

> <MASS>
410.75950

> <MONOISOTOPIC_MASS>
410.44877

> <CHARGE>
0

> <SMILES>
CCCCCCCCCCCCCCCCCCCCCCCCCCCCO

> <INCHI>
InChI=1S/C28H58O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29/h29H,2-28H2,1H3

> <INCHIKEY>
CNNRPFQICPFDPO-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1786879

> <CAS_REGISTRY_NUMBER>
557-61-9

> <CHEMIDPLUS>
557-61-9

> <KEGG_COMPOUND_ACCESSION>
C08387

> <KNAPSACK_ACCESSION>
C00001263

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA05000003

> <PUBMED_CITATION>
16745315; 18513715

$$$$