Mrv0541 02181513152D          

 31 30  0  0  0  0            999 V2000
   14.3946   -1.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6801   -1.9907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3946   -0.7533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9658   -1.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2513   -1.9907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5368   -1.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8224   -1.9907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1080   -1.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3935   -1.9907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6791   -1.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9646   -1.9906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2501   -1.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5357   -1.9907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8213   -1.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1068   -1.9906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3923   -1.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6779   -1.9906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1091   -1.9907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6780   -2.8156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5369   -3.2281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8225   -2.8156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1080   -3.2281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3936   -2.8156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6791   -3.2281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9646   -2.8156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2503   -3.2281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5358   -2.8156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8213   -3.2281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1068   -2.8156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3924   -3.2281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2514   -2.8156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  2  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  1  0  0  0  0
 12 13  1  0  0  0  0
 13 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
  1 18  1  0  0  0  0
 17 19  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
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 19 30  1  0  0  0  0
 20 31  1  0  0  0  0
M  END
> <ID>
CHEBI:84867

> <NAME>
nonacosanoic acid

> <DEFINITION>
A very long-chain fatty acid comprising of 29 carbon atoms.

> <STAR>
3

> <SYNONYM>
nonacosylic acid

> <IUPAC_NAME>
nonacosanoic acid

> <FORMULA>
C29H58O2

> <MASS>
438.76960

> <MONOISOTOPIC_MASS>
438.44368

> <CHARGE>
0

> <SMILES>
CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O

> <INCHI>
InChI=1S/C29H58O2/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(30)31/h2-28H2,1H3,(H,30,31)

> <INCHIKEY>
IHEJEKZAKSNRLY-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
4250-38-8

> <REAXYS_REGISTRY_NUMBER>
1802983

> <CHEMIDPLUS>
4250-38-8

> <KNAPSACK_ACCESSION>
C00037560

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA01010029

> <METACYC_ACCESSION>
CPD-8510

> <NIST_CHEMISTRY_WEBBOOK>
4250-38-8

> <WIKIPEDIA_ACCESSION>
Nonacosylic_acid

> <PUBMED_CITATION>
11014275; 21899477; 21954553

$$$$