LMSP01080046
  LIPID_MAPS_STRUCTURE_DATABASE

 23 23  0  0  0  0  0  0  0  0999 V2000
    6.0606    7.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9159    7.5810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7713    7.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6268    7.5810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4822    7.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3377    7.5810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1931    7.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0485    7.5810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9039    7.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7593    7.5810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6147    7.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4702    7.5810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3256    7.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1811    7.5810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0364    7.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8918    7.5810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7472    7.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6026    7.5810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4581    7.0871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6268    8.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8918    8.4531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9756    6.3318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9159    8.6268    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
  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  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
 15 14  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 18 19  1  0  0  0  0
  4 20  1  1  0  0  0
 16 21  1  1  0  0  0
 15 22  1  0  0  0  0
 17 22  1  0  0  0  0
  2 23  1  0  0  0  0
M  END
> <LM_ID>
LMSP01080046

> <COMMON_NAME>
Penaresidin B

> <SYSTEMATIC_NAME>
2S-((11S-hydroxy-13-methyltetradecyl)-4S-(hydroxymethyl)azetidin-3R-ol

> <FORMULA>
C19H39NO3

> <MASS>
329.29

> <CATEGORY>
Sphingolipids [SP]

> <MAIN_CLASS>
Sphingoid bases [SP01]

> <SUB_CLASS>
Sphingoid base analogs [SP0108]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GOJDAUFFWJKIPB-CADBVGFASA-N

> <INCHI>
InChI=1S/C19H39NO3/c1-15(2)13-16(22)11-9-7-5-3-4-6-8-10-12-17-19(23)18(14-21)20-17/h15-23H,3-14H2,1-2H3/t16-,17-,18-,19+/m0/s1

> <SMILES>
CC(C)C[C@@H](O)CCCCCCCCCC[C@@H]1N[C@@H](CO)[C@@H]1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
137781

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11002018

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2630499

> <CITATION>
-

$$$$