LMSP01080047
  LIPID_MAPS_STRUCTURE_DATABASE

 26 26  0  0  0  0  0  0  0  0999 V2000
    9.5101    7.2697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3725    7.7677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2349    7.2697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0972    7.7677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9596    7.2697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8220    7.7677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6844    7.2697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5468    7.7677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4091    7.2697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2715    7.7677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1339    7.2697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9964    7.7677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8586    7.2697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7211    7.7677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5835    7.2697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4459    7.7677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3083    7.2697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1706    7.7677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0330    7.2697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.4459    8.6469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.5302    6.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6476    7.7677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7854    7.2697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9229    7.7677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0605    7.2697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2349    6.3605    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
 16 20  1  1  0  0  0
 15 21  1  0  0  0  0
 17 21  1  0  0  0  0
  1 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
  3 26  1  0  0  0  0
M  END
> <LM_ID>
LMSP01080047

> <COMMON_NAME>
Penazetidine A

> <SYSTEMATIC_NAME>
2S-(hydroxymethyl)-4S-(12-methyloctadecyl)azetidin-3R-ol

> <FORMULA>
C23H47NO2

> <MASS>
369.36

> <CATEGORY>
Sphingolipids [SP]

> <MAIN_CLASS>
Sphingoid bases [SP01]

> <SUB_CLASS>
Sphingoid base analogs [SP0108]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MXSVVKSZJQKNBC-AVAPBHFXSA-N

> <INCHI>
InChI=1S/C23H47NO2/c1-3-4-5-13-16-20(2)17-14-11-9-7-6-8-10-12-15-18-21-23(26)22(19-25)24-21/h20-26H,3-19H2,1-2H3/t20?,21-,22-,23+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9999186

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1960726

> <CITATION>
-

$$$$