Marvin  11050916592D          

 24 23  0  0  0  0            999 V2000
   21.3206  -15.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9806  -14.6396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7231  -15.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4244  -14.6396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1256  -15.0521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.4244  -13.8146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5781  -14.6396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8769  -15.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1756  -14.6396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4611  -15.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4611  -15.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1756  -16.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1756  -17.1146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4611  -17.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4611  -18.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7467  -18.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0322  -18.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3177  -18.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6032  -18.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6032  -17.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8888  -17.1146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8888  -16.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6033  -15.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6033  -15.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
> <ID>
CHEBI:53488

> <NAME>
(7Z,10Z,13Z,16Z,19Z)-docosapentaenoic acid

> <DEFINITION>
The all-cis-isomer of a C22 polyunsaturated fatty acid having five double bonds in the 7-, 10-, 13-, 16- and 19-positions.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:138672

> <SYNONYM>
DPAn-3; DPA; Docosapentaenoic acid; docosapentaenoic acid; docosa-7Z,10Z,13Z,16Z,19Z-pentaenoic acid; Docosa-7c,10c,13c,16c,19c-pentaensaeure; clupanodonic acid; cis-7,10,13,16,19-Docosapentaenoic acid; all-cis-7,10,13,16,19-docosapentaenoic acid; (all Z)-7,10,13,16,19-Docosapentaenoic acid; (7Z,10Z,13Z,16Z,19Z)-Docosa-7,10,13,16,19-pentaenoic acid

> <IUPAC_NAME>
(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoic acid

> <FORMULA>
C22H34O2

> <MASS>
330.50420

> <MONOISOTOPIC_MASS>
330.25588

> <CHARGE>
0

> <SMILES>
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(O)=O

> <INCHI>
InChI=1S/C22H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-

> <INCHIKEY>
YUFFSWGQGVEMMI-JLNKQSITSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
2287314

> <CAS_REGISTRY_NUMBER>
24880-45-3

> <REAXYS_REGISTRY_NUMBER>
2287314

> <CHEMIDPLUS>
24880-45-3

> <KEGG_COMPOUND_ACCESSION>
C16513

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA04000044

> <METACYC_ACCESSION>
CPD-13792

> <PUBMED_CITATION>
17291553; 6469703

$$$$