LMFA01120011
  LIPID_MAPS_STRUCTURE_DATABASE

 30 29  0     0  0            999 V2000
    6.9829   -1.9692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8488   -2.4690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9829   -0.9695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1110   -2.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2383   -1.9692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3659   -2.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4933   -1.9692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6210   -2.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7485   -1.9692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8759   -2.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0034   -1.9692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8690   -1.9692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7414   -2.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6138   -1.9692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4863   -2.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3589   -1.9692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2312   -2.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1038   -1.9692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9762   -2.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8488   -1.9692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7123   -1.2604    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0034   -0.5516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6808   -1.0010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6138   -0.9638    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3248   -0.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3248    0.7525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6138    1.4636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6138    2.4690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7431    0.9609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1910    1.2526    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 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  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 11 21  1  0     0  0
 21 22  1  0     0  0
 21 23  2  0     0  0
 14 24  1  0     0  0
 24 25  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
 26 30  1  1     0  0
M  CHG  2  21   1  22  -1
M  END
> <LM_ID>
LMFA01120011

> <COMMON_NAME>
12-cys-9-nitro-octadecenoic acid

> <SYSTEMATIC_NAME>
12-cysteinyl-9-nitro-9Z-octadecenoic acid

> <FORMULA>
C21H38N2O6S

> <MASS>
446.25

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Nitro fatty acids [FA0112]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
184586

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
134812120

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMFA01120011

$$$$