LMSP01040014
  LIPID_MAPS_STRUCTURE_DATABASE

 20 19  0     0  0            999 V2000
    0.2708    0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5959    0.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4629    0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7718    1.8584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2301    1.8584    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1380    0.4912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0049    0.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1240   -0.3246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0790   -0.3438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3369    0.4928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2106    0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0842    0.4928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9579    0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8315    0.4928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7053    0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5789    0.4928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4525    0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3262    0.4928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1999    0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3262   -0.5072    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  1  0  0  0
  1  4  1  6  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  2  8  1  6  0  0  0
  2  9  1  1  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  1  0  0  0  0
 18 20  1  0     0  0
M  END
> <LM_ID>
LMSP01040014

> <COMMON_NAME>
iso (13-methyl-d14:1) sphingosine

> <SYSTEMATIC_NAME>
13-methyl-tetradecasphing-4E-enine

> <FORMULA>
C15H31NO2

> <MASS>
257.24

> <CATEGORY>
Sphingolipids [SP]

> <MAIN_CLASS>
Sphingoid bases [SP01]

> <SUB_CLASS>
Sphingoid base homologs and variants [SP0104]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PUOYCUFZRQIQEL-XXQUSICCSA-N

> <INCHI>
InChI=1S/C15H31NO2/c1-13(2)10-8-6-4-3-5-7-9-11-15(18)14(16)12-17/h9,11,13-15,17-18H,3-8,10,12,16H2,1-2H3/b11-9+/t14-,15+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
SPB 15:1;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171117789

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
6239

> <CITATION>
37735971

$$$$