LMSP01080088
  LIPID_MAPS_STRUCTURE_DATABASE

 20 19  0     0  0            999 V2000
   -0.0001   -0.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8681    0.2650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7362   -0.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5015   -1.1026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5018   -1.1026    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8681    0.2665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7362   -0.2346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3955    1.0834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3518    1.1026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6111    0.2650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4860   -0.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3608    0.2650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2357   -0.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1105    0.2650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9854   -0.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8603    0.2650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7351   -0.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6100    0.2650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4848   -0.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6100    1.2650    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  1  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>
LMSP01080088

> <COMMON_NAME>
iso (13-methyl-d14:0) sphinganine

> <SYSTEMATIC_NAME>
13-methyl-tetradecasphinganine

> <FORMULA>
C15H33NO2

> <MASS>
259.25

> <CATEGORY>
Sphingolipids [SP]

> <MAIN_CLASS>
Sphingoid bases [SP01]

> <SUB_CLASS>
Sphingoid base analogs [SP0108]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
SPH id15:0

> <INCHI_KEY>
WHCSHOZZRZZFDF-LSDHHAIUSA-N

> <INCHI>
InChI=1S/C15H33NO2/c1-13(2)10-8-6-4-3-5-7-9-11-15(18)14(16)12-17/h13-15,17-18H,3-12,16H2,1-2H3/t14-,15+/m0/s1

> <SMILES>
[C@](CO)([H])(N)[C@]([H])(O)CCCCCCCCCC(C)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
SPB 15:0;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171117791

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
6239

> <CITATION>
37735971

$$$$