LMST03020191
  LIPID_MAPS_STRUCTURE_DATABASE

 34 36  0  0  0  0  0  0  0  0999 V2000
    7.7920    5.7014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0058    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2197    5.7014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2197    6.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0058    7.0630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0058    8.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7645    8.4481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7645    9.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0058    9.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7920    6.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0058   10.6380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7645   11.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5229   10.6380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5229    9.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0402    9.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0402   10.6380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2816   11.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5229   11.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4572    6.9933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2816   11.7768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5683   11.9679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8885   12.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4954   11.7768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1023   12.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7090   11.7768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3160   12.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7090   11.1852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4572    5.3173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.3173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3743   11.3927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9813   11.7431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5229    9.0968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9469   11.4602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2816   12.4421    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
  1 28  1  1  0  0  0
  3 29  1  6  0  0  0
 25 30  1  6  0  0  0
 26 31  1  0  0  0  0
 14 32  1  6  0  0  0
 17 33  1  6  0  0  0
 20 34  1  1  0  0  0
M  END
> <LM_ID>
LMST03020191

> <COMMON_NAME>
(22E)-(25R)-1alpha,25,26-trihydroxy-22,23-didehydrovitamin D3 / (22E)-(25R)-1alpha,25,26-trihydroxy-22,23-didehydrocholecalciferol

> <SYSTEMATIC_NAME>
(5Z,7E,22E)-(1S,3R,25R)-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,25,26-tetrol

> <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>
178605

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283707

> <LIPIDBANK_ID>
VVD0209

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020191

$$$$