LMST03020668
  LIPID_MAPS_STRUCTURE_DATABASE

 34 36  0  0  0  0  0  0  0  0999 V2000
    6.2647    6.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2647    5.6593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9779    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6911    5.6593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6911    6.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9779    6.8945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9779    7.7147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6911    8.1265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6911    8.9467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4042    9.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4042   10.1819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6911   10.5937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9779   10.1819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9779    9.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1875    9.1039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6715    9.7702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1875   10.4364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1875   11.2599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9006   11.6717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6138   11.2599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.2492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4014    6.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4042    8.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9829   10.6495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4743   11.6717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4042   11.0054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0793   11.1831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7925   11.5949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0793   10.3596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7925   10.7714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4014    5.2492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3270   11.6717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6138   10.4397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1875   12.0834    0.0000 H   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  1  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  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  9  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 11  1  0  0  0  0
 18 19  1  0  0  0  0
  5 22  2  0  0  0  0
 17 18  1  0  0  0  0
 18 25  1  6  0  0  0
  2 21  1  6  0  0  0
 11 26  1  1  0  0  0
 10 23  1  6  0  0  0
 17 24  1  6  0  0  0
 19 20  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
  4 31  1  1  0  0  0
 20 32  1  0  0  0  0
 32 27  1  0  0  0  0
 20 33  2  0  0  0  0
 18 34  1  1  0  0  0
M  END
> <LM_ID>
LMST03020668

> <COMMON_NAME>
1,25-Dihydroxy-23-oxo-vitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(1S,3R)-23-oxo-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol

> <FORMULA>
C27H42O4

> <MASS>
430.31

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
178593

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
20839354

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020668

$$$$