LMSP01080044
  LIPID_MAPS_STRUCTURE_DATABASE

 23 23  0     0  0            999 V2000
    6.3575    7.6074    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.0255    7.2218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8917    7.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7577    7.2218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6239    7.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4900    7.2218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3561    7.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2223    7.2218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0885    7.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9545    7.2218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8207    7.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6867    7.2218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5529    7.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4191    7.2218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2852    7.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1513    7.2218    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.2904    8.3023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0720    8.3023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0255    6.3605    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   19.0315    9.2684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8174   10.0540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9582    9.5561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1725    8.7702    0.0000 C   0  0  0  0  0  0  0  0  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
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  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  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 16  1  0  0  0  0
 17 20  1  1  0  0  0
 17 18  1  6  0  0  0
  2 19  1  0  0  0  0
M  END
> <LM_ID>
LMSP01080044

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

> <SYSTEMATIC_NAME>
methyl 3-(13,13-dibromotrideca-1E,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-TYZQSYOASA-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>
Br/C(/Br)=C/CCCCCCCCC/C=C/C1[C@@]([H])(C(OC)=O)N=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
183130

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6444313

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1336851

> <CITATION>
7494151

$$$$