LMST03020318
  LIPID_MAPS_STRUCTURE_DATABASE

 33 35  0     0  0            999 V2000
    9.4395    6.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4884    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5375    6.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5375    8.0079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4884    8.5570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4884    9.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4062   10.2326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4062   11.2921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4884   11.8221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4395    8.0079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4884   12.8817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4062   13.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3238   12.8817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3238   11.8221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1593   11.8221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1593   12.8817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2416   13.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3238   13.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2442    8.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2416   14.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3787   14.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9758   14.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7099   14.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4441   14.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1782   14.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9124   14.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1782   13.5438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7172   14.2186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.4450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9829   13.7947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3238   11.0173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0464   13.8764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2416   15.0643    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  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
 17 20  1  0  0  0  0
 20 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  1  0  0  0  0
 25 27  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
 20 21  1  6  0  0  0
 26 28  1  0  0  0  0
  3 29  1  6  0  0  0
 25 30  1  6  0  0  0
 14 31  1  6  0  0  0
 17 32  1  6  0  0  0
 20 33  1  1  0  0  0
M  END
> <LM_ID>
LMST03020318

> <COMMON_NAME>
(22E)-(25S)-25-hydroxy-26-methyl-22,23-didehydrovitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E,22E)-(3S,25S)-26-methyl-9,10-seco-5,7,10(19),22-cholestatetraene-3,25-diol

> <FORMULA>
C28H44O2

> <MASS>
412.33

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(22E)-(25S)-25-hydroxy-26-methyl-22,23-didehydrocholecalciferol

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283767

> <LIPIDBANK_ID>
VVD0370

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020318

$$$$