LMSP01080012
  LIPID_MAPS_STRUCTURE_DATABASE

 22 21  0  0  0  0  0  0  0  0999 V2000
   17.1830    6.4791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8941    6.0686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4667    6.0686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7500    6.4791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0333    6.0686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3166    6.4791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6000    6.0686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8832    6.4791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1667    6.0686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4500    6.4791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7333    6.0686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0166    6.4791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3000    6.0686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5833    6.4791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8666    6.0686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1500    6.4791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4334    6.0686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167    6.4791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.0686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4667    5.2475    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7500    7.3004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4500    7.3004    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  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
 10 22  1  0  0  0  0
M  END
> <LM_ID>
LMSP01080012

> <COMMON_NAME>
(4E,8E,9Me-d19:2)sphingosine

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

> <FORMULA>
C19H37NO2

> <MASS>
311.28

> <CATEGORY>
Sphingolipids [SP]

> <MAIN_CLASS>
Sphingoid bases [SP01]

> <SUB_CLASS>
Sphingoid base analogs [SP0108]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QCUHPIBMMDIRKL-JWBJMZHVSA-N

> <INCHI>
InChI=1S/C19H37NO2/c1-3-4-5-6-7-8-10-13-17(2)14-11-9-12-15-19(22)18(20)16-21/h12,14-15,18-19,21-22H,3-11,13,16,20H2,1-2H3/b15-12+,17-14+/t18-,19+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
168456

> <ABBREVIATION>
SPB 19:2;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10913955

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$