LMST03010046
  LIPID_MAPS_STRUCTURE_DATABASE

 34 36  0     0  0            999 V2000
    9.2646    6.5741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3749    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4853    6.5741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4853    7.6014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3749    8.1150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3749    9.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2334    9.6824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2334   10.6735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3749   11.1692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2646    7.6014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3749   12.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2334   12.6561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0917   12.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0917   11.1692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8087   11.1692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8087   12.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9502   12.6561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0917   12.9285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.1395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0917   10.4163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7030   13.0907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9502   13.6472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8085   14.1427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6670   13.6472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5253   14.1427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3837   13.6472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2421   14.1427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3837   12.6561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9502   14.6383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9928   13.9037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5253   15.1339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1229    6.0785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2421   13.1516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6271    8.0969    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
  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
  3 19  1  1  0  0  0
 14 20  1  6  0  0  0
 17 21  1  6  0  0  0
 17 22  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 26 28  1  0  0  0  0
 22 29  1  1  0  0  0
 22 30  1  6  0  0  0
 25 31  1  6  0  0  0
  1 32  1  1  0  0  0
 26 33  1  0  0  0  0
  4 34  2  0  0  0  0
M  END
> <LM_ID>
LMST03010046

> <COMMON_NAME>
5(E)-1beta,25-dihydroxyvitamin D2

> <SYSTEMATIC_NAME>
(5E,7E,22E)-(1R,3R)-9,10-seco-5,7,10(19),22-ergostatetraene-1,3,25-triol

> <FORMULA>
C28H44O3

> <MASS>
428.33

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D2 and derivatives [ST0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
1beta,25-dihydroxyergocalciferol

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547249

> <LIPIDBANK_ID>
VVD0388

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03010046

$$$$