LMSP01080004
  LIPID_MAPS_STRUCTURE_DATABASE

 21 20  0  0  0  0  0  0  0  0999 V2000
   17.1802    6.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8913    6.0684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4641    6.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7476    6.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0311    6.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3145    6.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5981    6.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8815    6.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1651    6.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4485    6.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7321    6.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0156    6.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2990    6.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5825    6.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8660    6.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1495    6.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4330    6.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7165    6.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4641    5.2475    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3145    7.2999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  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
 18 19  1  0  0  0  0
  3 20  1  6  0  0  0
  6 21  1  0  0  0  0
M  END
> <LM_ID>
LMSP01080004

> <COMMON_NAME>
5-hydroxy,3E-sphingosine

> <SYSTEMATIC_NAME>
2R-amino-3E-octadecene-1,5-diol

> <FORMULA>
C18H37NO2

> <MASS>
299.28

> <CATEGORY>
Sphingolipids [SP]

> <MAIN_CLASS>
Sphingoid bases [SP01]

> <SUB_CLASS>
Sphingoid base analogs [SP0108]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZQYNBVSXIQZMEO-TVSYHJGPSA-N

> <INCHI>
InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(21)15-14-17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18?/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
177936

> <ABBREVIATION>
SPB 18:1;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608344

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$