LMSP01080016
  LIPID_MAPS_STRUCTURE_DATABASE

 26 25  0  0  0  0  0  0  0  0999 V2000
   17.1921    6.4801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9038    6.0692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4753    6.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7581    6.4801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0409    6.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3236    6.4801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6064    6.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8892    6.4801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1721    6.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4548    6.4801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7377    6.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0205    6.4801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3032    6.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5860    6.4801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8688    6.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1517    6.4801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4344    6.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7173    6.4801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4753    5.2475    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7581    7.3018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3236    7.3018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4548    7.3018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5860    7.3018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8688    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7173    7.3018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  1  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  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  2  0  0  0  0
 18 19  1  0  0  0  0
  3 20  1  6  0  0  0
  4 21  1  1  0  0  0
  6 22  1  0  0  0  0
 10 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 18 26  1  0  0  0  0
M  END
> <LM_ID>
LMSP01080016

> <COMMON_NAME>
Aplidiasphingosine

> <SYSTEMATIC_NAME>
2S-amino-5,9,13,17-tetramethyl-8E,16-octadecadiene-1,3R,14-triol

> <FORMULA>
C22H43NO3

> <MASS>
369.32

> <CATEGORY>
Sphingolipids [SP]

> <MAIN_CLASS>
Sphingoid bases [SP01]

> <SUB_CLASS>
Sphingoid base analogs [SP0108]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ASNURABVVXFZSH-CGWCWHFRSA-N

> <INCHI>
InChI=1S/C22H43NO3/c1-16(2)12-13-21(25)19(5)11-7-9-17(3)8-6-10-18(4)14-22(26)20(23)15-24/h8,12,18-22,24-26H,6-7,9-11,13-15,23H2,1-5H3/b17-8+/t18?,19?,20-,21?,22+/m0/s1

> <SMILES>
C([C@H](N)[C@H](O)CC(C)CC/C=C(\C)/CCCC(C)C(O)C/C=C(\C)/C)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
73894

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608352

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
201956

> <CITATION>
18499644

$$$$