LMFA04060002
  LIPID_MAPS_STRUCTURE_DATABASE

 30 31  0     0  0            999 V2000
   -0.4069    0.2604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2686   -0.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1301    0.2604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9918   -0.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8535    0.2604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7152   -0.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7101   -0.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8727    1.2213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6644    1.2213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4136   -0.9407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7101   -1.6442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7152   -1.6442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8535   -1.1468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9918   -1.6442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9969   -1.6442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1352   -1.1468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2736   -1.6442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8478   -1.1325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6395   -1.1325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3821   -0.1716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2437    0.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1053   -0.1716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9670    1.1468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9670    0.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8287   -0.1716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6903    0.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5519   -0.1716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5519   -1.1666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4136    0.3259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8287    1.6442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  7  2  0     0  0
  3  8  1  0     0  0
  1  9  1  0     0  0
  8  9  1  0     0  0
  7 10  1  0     0  0
 10 11  1  0     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  2  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 19 18  1  0     0  0
 22 18  1  0     0  0
 20 19  1  0     0  0
 21 20  1  0     0  0
 22 21  1  0     0  0
 24 22  1  0     0  0
 24 23  1  0     0  0
 24 25  1  0     0  0
  1 20  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 28  2  0     0  0
 27 29  1  0     0  0
 23 30  1  0     0  0
M  END
> <LM_ID>
LMFA04060002

> <COMMON_NAME>
4-(5'-((1E,3E,6Z,9Z)-dodeca-1,3,6,9-tetraen-1-yl)-[3,3'-bi(1,2-dioxolan)]-5-yl)-4-hydroperoxybutanoic acid

> <SYSTEMATIC_NAME>
4-(5'-((1E,3E,6Z,9Z)-dodeca-1,3,6,9-tetraen-1-yl)-[3,3'-bi(1,2-dioxolan)]-5-yl)-4-hydroperoxybutanoic acid

> <FORMULA>
C22H32O8

> <MASS>
424.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Docosanoids [FA04]

> <SUB_CLASS>
Docosa-1,2-dioxolanes [FA0406]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
186932

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
126457328

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
Regiochemistry of Neuroprostanes Generated from the Peroxidation of Docosahexaenoic Acid in Vitro and in Vivo
J Biol Chem. 2005 Jul 15;280(28):26600-11. DOI 10.1074/jbc.M503088200
Huiyong Yin, Erik S. Musiek, Ling Gao, Ned A. Porter, and Jason D. Morrow

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMFA04060002

$$$$