Ketcher 02192014342D 1   1.00000     0.00000     0

 26 25  0     0  0            999 V2000
   13.1670   -9.9529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6406   -9.4530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5067   -9.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3727   -9.4530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2387   -9.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1049   -9.4530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9710   -9.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8370   -9.4530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7029   -9.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5690   -9.4530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4350   -9.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3011   -9.4530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6406   -8.4530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5066   -7.9531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3726   -8.4530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2387   -7.9531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1048   -8.4530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3011   -8.4530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9084   -9.4530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9084   -8.4530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7746   -9.9530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7746   -7.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1763   -9.4530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1763   -8.4530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0424   -9.9530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0424   -7.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0     0  0
  4  3  1  0     0  0
  4  5  1  0     0  0
  6  5  1  0     0  0
  6  7  1  0     0  0
  8  7  1  0     0  0
  8  9  1  0     0  0
 10  9  1  0     0  0
 10 11  1  0     0  0
 12 11  1  0     0  0
 12  1  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 12 18  2  0     0  0
 21 19  1  0     0  0
 22 20  1  0     0  0
  2 21  1  0     0  0
 13 22  1  0     0  0
 24 23  2  0     0  0
 25 23  1  0     0  0
 26 24  1  0     0  0
 19 25  1  0     0  0
 20 26  1  0     0  0
M  END
> <ID>
CHEBI:44247

> <NAME>
(15Z)-tetracosenoic acid

> <DEFINITION>
A tetracosenoic acid having a cis-double bond at position 15.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:44244; CHEBI:7526

> <SYNONYM>
selacholeic acid; Nervonsaeure; Nervonic acid; Nervonic acid; cis-Delta(15)-tetracosenoic acid; cis-15-tetracosenoic acid; 15cis-tetracosenoic acid; (Z)-tetracos-15-enoic acid; (Z)-15-Tetracosenoic acid; (15Z)-Tetracosenoic acid

> <IUPAC_NAME>
(15Z)-tetracos-15-enoic acid

> <FORMULA>
C24H46O2; C24H46O2

> <MASS>
366.630

> <MONOISOTOPIC_MASS>
366.34978

> <CHARGE>
0

> <SMILES>
OC(CCCCCCCCCCCCC/C=C\CCCCCCCC)=O

> <INCHI>
InChI=1S/C24H46O2/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/h9-10H,2-8,11-23H2,1H3,(H,25,26)/b10-9-

> <INCHIKEY>
GWHCXVQVJPWHRF-KTKRTIGZSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1728551

> <CAS_REGISTRY_NUMBER>
506-37-6

> <REAXYS_REGISTRY_NUMBER>
1728551

> <CHEMIDPLUS>
506-37-6

> <KEGG_COMPOUND_ACCESSION>
C08323

> <KNAPSACK_ACCESSION>
C00001230

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA01030092

> <PUBMED_CITATION>
12742544; 16394593; 21147856; 8072429; 9075193

$$$$