LMSP01080032
  LIPID_MAPS_STRUCTURE_DATABASE

 20 19  0     0  0            999 V2000
   20.8200    7.8526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9522    7.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0840    7.8526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2158    7.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3475    7.8526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4793    7.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6111    7.8526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7428    7.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8746    7.8526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0064    7.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1381    7.8526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2699    7.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4017    7.8526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5334    7.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6652    7.8526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7970    7.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9288    7.8526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0605    7.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9522    6.3605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.0840    8.8475    0.0000 O   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
 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
  2 19  1  6  0  0  0
  3 20  1  1  0  0  0
M  END
> <LM_ID>
LMSP01080032

> <COMMON_NAME>
Spisulosine

> <SYSTEMATIC_NAME>
1-deoxy-sphinganine

> <FORMULA>
C18H39NO

> <MASS>
285.30

> <CATEGORY>
Sphingolipids [SP]

> <MAIN_CLASS>
Sphingoid bases [SP01]

> <SUB_CLASS>
Sphingoid base analogs [SP0108]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(2S,3R)-2-aminooctadecan-3-ol; 2S-amino-octadecan-3R-ol

> <INCHI_KEY>
YRYJJIXWWQLGGV-ZWKOTPCHSA-N

> <INCHI>
InChI=1S/C18H39NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17(2)19/h17-18,20H,3-16,19H2,1-2H3/t17-,18+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
67106

> <ABBREVIATION>
-

> <CAYMAN_ID>
13511

> <SWISSLIPIDS_ID>
SLM:000000210

> <PUBCHEM_COMPOUND_ID>
9925886

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
19095642

$$$$