LMSP01080040
  LIPID_MAPS_STRUCTURE_DATABASE

 34 33  0  0  0  0  0  0  0  0999 V2000
   32.2522    8.2795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3629    7.7698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4732    8.2795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5835    7.7698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.6936    8.2795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8040    7.7698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9142    8.2795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0245    7.7698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1348    8.2795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2451    7.7698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3552    7.7698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4656    8.2795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5758    7.7698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6860    7.7698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7964    8.2795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9066    7.7698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0170    7.7698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1272    8.2795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2374    7.7698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3477    7.7698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4580    8.2795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5682    7.7698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6786    7.7698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7888    8.2795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8990    7.7698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0093    7.7698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1198    8.2795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2299    7.7698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3402    8.2795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4504    7.7698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3629    6.7504    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.4732    9.2991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2299    6.7504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3402    9.2991    0.0000 N   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  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
  2 31  1  6  0  0  0
  3 32  1  1  0  0  0
 28 33  1  1  0  0  0
 29 34  1  6  0  0  0
M  END
> <LM_ID>
LMSP01080040

> <COMMON_NAME>
Leucettamol A

> <SYSTEMATIC_NAME>
(2S,3R,5Z,8Z,11Z,14Z,17Z,20Z,28R,29S)-2,29-diaminotriaconta-5,8,11,14,17,20-hexaene-3,28-diol

> <FORMULA>
C30H52N2O2

> <MASS>
472.40

> <CATEGORY>
Sphingolipids [SP]

> <MAIN_CLASS>
Sphingoid bases [SP01]

> <SUB_CLASS>
Sphingoid base analogs [SP0108]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CXFKWMQQNSTRAS-MVRCMUOWSA-N

> <INCHI>
InChI=1S/C30H52N2O2/c1-27(31)29(33)25-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26-30(34)28(2)32/h3,5-6,8-9,11-12,14-15,17,21,23,27-30,33-34H,4,7,10,13,16,18-20,22,24-26,31-32H2,1-2H3/b5-3-,8-6-,11-9-,14-12-,17-15-,23-21-/t27-,28-,29+,30+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9984898

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
197028

> <CITATION>
19006668

$$$$