LMSP01080087
  LIPID_MAPS_STRUCTURE_DATABASE

 22 21  0     0  0            999 V2000
   -0.0001   -0.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8732    0.2666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7465   -0.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5044   -1.1091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5048   -1.1091    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8732    0.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7465   -0.2360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3979    1.0898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3598    1.1091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6265    0.2666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5066   -0.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3866    0.2666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2667   -0.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1467    0.2666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0267   -0.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9068    0.2666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7868   -0.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6669    0.2666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5469    0.2666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4269   -0.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3070    0.2666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4269   -1.2360    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
  1  5  1  6  0  0  0
  1  4  1  1  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  2  8  1  1  0  0  0
  2  9  1  6  0  0  0
  3 10  2  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
 14 15  1  0  0  0  0
 15 16  1  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
 20 22  1  0     0  0
M  END
> <LM_ID>
LMSP01080087

> <COMMON_NAME>
iso (4E,13Z,15-methyl-d16:2) sphingosine

> <SYSTEMATIC_NAME>
15-methyl-hexadecasphing-4E,13Z-dienine

> <FORMULA>
C17H33NO2

> <MASS>
283.25

> <CATEGORY>
Sphingolipids [SP]

> <MAIN_CLASS>
Sphingoid bases [SP01]

> <SUB_CLASS>
Sphingoid base analogs [SP0108]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
SPH id17:2

> <INCHI_KEY>
MWMVOFZJFJJZJL-HIQVOFEJSA-N

> <INCHI>
InChI=1S/C17H33NO2/c1-15(2)12-10-8-6-4-3-5-7-9-11-13-17(20)16(18)14-19/h10-13,15-17,19-20H,3-9,14,18H2,1-2H3/b12-10-,13-11+/t16-,17+/m0/s1

> <SMILES>
[C@](CO)([H])(N)[C@]([H])(O)/C=C/CCCCCCC/C=C\C(C)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
SPB 17:2;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171117790

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
6239

> <CITATION>
37735971

$$$$