LMSP01080089
  LIPID_MAPS_STRUCTURE_DATABASE

 23 23  0     0  0            999 V2000
   16.2829    3.3806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4036    3.3806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2523    3.2412    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.9203    2.8556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7865    3.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6525    2.8556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5187    3.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3848    2.8556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2509    3.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1171    2.8556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9833    3.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8493    2.8556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7155    3.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5815    2.8556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9203    1.9943    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   17.1880    2.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0540    3.3911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1931    2.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9747    2.3106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.9342    1.3445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7201    0.5589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8610    1.0568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0753    1.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  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
  4 15  1  0  0  0  0
 14  2  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 17  1  0  0  0  0
 18 20  1  6  0  0  0
 18 19  1  1  0  0  0
  1 16  1  0  0  0  0
M  END
> <LM_ID>
LMSP01080089

> <COMMON_NAME>
(4Z)-S-Antazirine

> <SYSTEMATIC_NAME>
methyl 3-(13,13-dibromotrideca-1Z,12-dienyl)-2H-azirine-2S-carboxylate

> <FORMULA>
C17H25NO2Br2

> <MASS>
433.03

> <CATEGORY>
Sphingolipids [SP]

> <MAIN_CLASS>
Sphingoid bases [SP01]

> <SUB_CLASS>
Sphingoid base analogs [SP0108]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KUIICVNFNJTIGS-DMIOIOJGSA-N

> <INCHI>
InChI=1S/C17H25Br2NO2/c1-22-17(21)16-14(20-16)12-10-8-6-4-2-3-5-7-9-11-13-15(18)19/h10,12-13,16H,2-9,11H2,1H3/b12-10-/t16-/m0/s1

> <SMILES>
C(/C1[C@@]([H])(C(OC)=O)N=1)=C/CCCCCCCCC/C=C(\Br)/Br

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
46882024

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1336851

> <CITATION>
7494151

$$$$