LMST03020054
  LIPID_MAPS_STRUCTURE_DATABASE

 33 35  0     0  0            999 V2000
    9.2730    6.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3803    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4880    6.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4880    7.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3803    8.4218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3803    9.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2417    9.9942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2417   10.9886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3803   11.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2730    7.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3803   12.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2417   12.9776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1028   12.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1028   11.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8252   11.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8252   12.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9641   12.9776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1028   13.2511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0281    8.3425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327    6.4398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1028   10.7307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7193   13.4137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9641   13.9720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8252   14.4691    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.9641   14.9664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0036   14.2294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6863   13.9720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5476   14.4691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4087   13.9720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2699   14.4691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4087   12.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1339    6.3787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2699   13.4748    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  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 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
  1 10  1  0  0  0  0
  5 10  1  0  0  0  0
  8 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  1  0  0  0
 10 19  2  0  0  0  0
  3 20  1  6  0  0  0
 14 21  1  6  0  0  0
 17 22  1  6  0  0  0
 17 23  1  0  0  0  0
 24 23  1  0  0  0  0
 23 25  1  6  0  0  0
 23 26  1  1  0  0  0
 27 24  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 29 31  1  0  0  0  0
  1 32  1  1  0  0  0
 29 33  1  0  0  0  0
M  END
> <LM_ID>
LMST03020054

> <COMMON_NAME>
1alpha,25-dihydroxy-22-thia-20-epivitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(1S,3R,20R)-9,10-seco-22-thia-5,7,10(19)-cholestatriene-1,3,25-triol

> <FORMULA>
C26H42O3S

> <MASS>
434.29

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
1alpha,25-dihydroxy-22-thia-20-epicholecalciferol

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547309

> <LIPIDBANK_ID>
VVD0056

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020054

$$$$