LMSP01080086
  LIPID_MAPS_STRUCTURE_DATABASE

 22 21  0     0  0            999 V2000
   -0.0001   -0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8721    0.2663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7444   -0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5038   -1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5042   -1.1077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8721    0.2677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3974    1.0885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3581    1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6233    0.2663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5023   -0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3813    0.2663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2602   -0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1392    0.2663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0182   -0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8971    0.2663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7761   -0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6551    0.2663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5340   -0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4130   -0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2919    0.2663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1709   -0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0499    0.2663    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
  2  7  1  1  0  0  0
  2  8  1  6  0  0  0
  3  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  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <LM_ID>
LMSP01080086

> <COMMON_NAME>
1-deoxysphing-14Z-enine

> <SYSTEMATIC_NAME>
(2S,3R,14Z)-2-amino-14-octadecen-3-ol

> <FORMULA>
C18H37NO

> <MASS>
283.29

> <CATEGORY>
Sphingolipids [SP]

> <MAIN_CLASS>
Sphingoid bases [SP01]

> <SUB_CLASS>
Sphingoid base analogs [SP0108]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BPUUVXWJPCOCMG-FDICQLOXSA-N

> <INCHI>
InChI=1S/C18H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17(2)19/h5-6,17-18,20H,3-4,7-16,19H2,1-2H3/b6-5-/t17-,18+/m0/s1

> <SMILES>
[C@](C)([H])(N)[C@]([H])(O)CCCCCCCCCC/C=C\CCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
SPB 18:1;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
137700466

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
27165858

$$$$