LMSP01080010
  LIPID_MAPS_STRUCTURE_DATABASE

 21 20  0  0  0  0  0  0  0  0999 V2000
   20.8248    7.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6867    7.3559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9569    7.3559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0883    7.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2199    7.3559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3514    7.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4827    7.3559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6143    7.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7459    7.3559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8774    7.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0089    7.3559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1404    7.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2718    7.3559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4033    7.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5348    7.3559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6664    7.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7979    7.3559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9294    7.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0608    7.3559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9569    6.3609    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.0883    8.8486    0.0000 O   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  2  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  1  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
M  END
> <LM_ID>
LMSP01080010

> <COMMON_NAME>
(4E,8E,d18:2) sphingosine

> <SYSTEMATIC_NAME>
sphinga-4E,8E-dienine

> <FORMULA>
C18H35NO2

> <MASS>
297.27

> <CATEGORY>
Sphingolipids [SP]

> <MAIN_CLASS>
Sphingoid bases [SP01]

> <SUB_CLASS>
Sphingoid base analogs [SP0108]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
sphinga-4E,8E-diene; sphingadiene

> <INCHI_KEY>
RTQVJTLVVBJRJG-SEXYCKHXSA-N

> <INCHI>
InChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h10-11,14-15,17-18,20-21H,2-9,12-13,16,19H2,1H3/b11-10+,15-14+/t17-,18+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
72800

> <ABBREVIATION>
SPB 18:2;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11220228

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
29159

> <CITATION>
4331787

$$$$