Mrv0541 07171412492D          

 25 24  0  0  0  0            999 V2000
    9.9098  -11.2977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9098  -12.1228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1952  -10.8852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1952  -12.5353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4806  -11.2977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4806  -12.1228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6243  -10.8852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3388  -11.2978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6242  -12.5353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3388  -12.1228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0533  -10.8853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7677  -11.2979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0532  -12.5353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7676  -12.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4822  -10.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1965  -11.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4819  -12.5354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1964  -12.1231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9109  -10.8860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6252  -11.2985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9106  -12.5356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6250  -12.1233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3409  -10.8810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0573  -11.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3372  -10.0559    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
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
> <ID>
CHEBI:42394

> <NAME>
tricosanoic acid

> <DEFINITION>
A very long-chain fatty acid that is tricosane in which one of the methyl groups has been oxidised to the corresponding carboxylic acid.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:39419; CHEBI:42392

> <SYNONYM>
n-tricosanoic acid

> <IUPAC_NAME>
tricosanoic acid

> <FORMULA>
C23H46O2

> <MASS>
354.61010

> <MONOISOTOPIC_MASS>
354.34978

> <CHARGE>
0

> <SMILES>
CCCCCCCCCCCCCCCCCCCCCCC(O)=O

> <INCHI>
InChI=1S/C23H46O2/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/h2-22H2,1H3,(H,24,25)

> <INCHIKEY>
XEZVDURJDFGERA-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1795192

> <CAS_REGISTRY_NUMBER>
2433-96-7

> <REAXYS_REGISTRY_NUMBER>
1795192

> <CHEMIDPLUS>
2433-96-7

> <DRUGBANK_ACCESSION>
DB03500

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA01010023

> <METACYC_ACCESSION>
CPD-7834

> <NIST_CHEMISTRY_WEBBOOK>
2433-96-7

> <PDBECHEM_ACCESSION>
F23

> <PUBMED_CITATION>
20117838

$$$$