LMSP00000021
  LIPID_MAPS_STRUCTURE_DATABASE

 43 42  0     0  0            999 V2000
    5.9564    0.7933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1486    0.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0286    1.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2207    1.1660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4128    1.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6815   -0.4795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6051    1.1660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7973    1.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0106    1.1660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8184    1.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6263    1.1660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4341    1.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2419    1.1660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0498    1.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8577    1.1660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6656    1.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4730    1.1660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2810    1.6329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4954    2.4396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3902    2.4316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8672   -0.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9633   -0.4383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0598   -0.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1559   -0.4383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2523   -0.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6516   -0.4383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5552   -0.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4590   -0.4383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3626   -0.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2664   -0.4383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1701   -0.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0739   -0.4383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9775   -0.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8672   -1.8675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9451   -0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7642    0.3284    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.6519    0.8409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7642   -0.5575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8814    0.0290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8814   -0.4383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9775   -1.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4730    0.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9633    0.5540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 36  1  1  0     0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
  2  6  1  6     0  0
  3 19  1  1     0  0
  3 20  1  6     0  0
  6 21  1  0     0  0
 22 21  1  0     0  0
 23 22  1  0     0  0
 24 23  1  0     0  0
 25 24  1  0     0  0
 26 25  1  0     0  0
 27 26  1  0     0  0
 28 27  1  0     0  0
 29 28  1  0     0  0
 30 29  1  0     0  0
 31 30  1  0     0  0
 32 31  1  0     0  0
 33 32  1  0     0  0
 40 33  1  0     0  0
 21 34  2  0     0  0
  2 35  1  1     0  0
 36 37  1  0     0  0
 36 38  2  0     0  0
 36 39  2  0     0  0
 33 41  1  0     0  0
 17 42  1  0     0  0
 22 43  2  0     0  0
M  END
> <LM_ID>
LMSP00000021

> <COMMON_NAME>
Sulfobacin SL3

> <SYSTEMATIC_NAME>
(2R,3R)-3-Hydroxy-15-methyl-2-[(2-oxo-13-methyltetradecanoyl)amino]-1-hexadecanesulfonic acid

> <FORMULA>
C33H65NO6S

> <MASS>
603.45

> <CATEGORY>
Sphingolipids [SP]

> <MAIN_CLASS>
Other Sphingolipids [SP00]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>
Sulfobacin SL3

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171121196

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/index.php/databases/lmsd/LMSP00000021

$$$$