LMST03020150
  LIPID_MAPS_STRUCTURE_DATABASE

 32 34  0     0  0            999 V2000
    9.4510    6.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4958    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5408    6.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5408    8.0149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4958    8.5663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4958    9.7168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4175   10.2491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4175   11.3132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4958   11.8454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4510    8.0149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4958   12.9095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4175   13.4418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3391   12.9095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3391   11.8454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1825   11.8454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1825   12.9095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2608   13.4418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3391   13.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2592    8.4815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2608   14.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3941   14.5253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9981   14.7187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7355   14.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2592    6.4453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.4453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3391   11.0372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0690   13.9084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2608   15.1013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7355   13.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4336   13.1589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4336   12.4453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1313   13.5618    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
 17 20  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  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 24  1  1  0  0  0
  3 25  1  6  0  0  0
 14 26  1  6  0  0  0
 17 27  1  6  0  0  0
 20 28  1  1  0  0  0
 23 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
M  END
> <LM_ID>
LMST03020150

> <COMMON_NAME>
(22Z)-1alpha-hydroxy-22,23-didehydrovitamin D3

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

> <FORMULA>
C27H42O2

> <MASS>
398.32

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(22Z)-1alpha-hydroxy-22,23-didehydrocholecalciferol

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283678

> <LIPIDBANK_ID>
VVD0168

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020150

$$$$