Mrv0541 02181515342D          

 27 26  0  0  0  0            999 V2000
    4.9024   -0.1818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6169    0.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1879    0.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4734   -0.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7593    0.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0448   -0.1819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3303    0.2307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6158   -0.1818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0987    0.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8132   -0.1815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5277    0.2311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5277    1.0562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2422   -0.1813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3313   -0.1819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0458    0.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7603   -0.1820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7602   -1.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0458   -1.4196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3313   -1.0071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6168   -1.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9023   -1.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1879   -1.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4734   -1.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7589   -1.4200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0444   -1.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3300   -1.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7590   -2.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 24 27  1  0  0  0  0
M  END
> <ID>
CHEBI:84882

> <NAME>
22-methyltetracosanoic acid

> <DEFINITION>
A methyl-branched fatty acid that is tetracosanoic acid (lignoceric acid) substituted by a methyl group at position 22.

> <STAR>
3

> <SYNONYM>
22-methyllignoceric acid

> <IUPAC_NAME>
22-methyltetracosanoic acid

> <FORMULA>
C25H50O2

> <MASS>
382.66330

> <MONOISOTOPIC_MASS>
382.38108

> <CHARGE>
0

> <SMILES>
CCC(C)CCCCCCCCCCCCCCCCCCCCC(O)=O

> <INCHI>
InChI=1S/C25H50O2/c1-3-24(2)22-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23-25(26)27/h24H,3-23H2,1-2H3,(H,26,27)

> <INCHIKEY>
ROFGTBFWXLYRFY-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
1728360

$$$$