LMST03020175
  LIPID_MAPS_STRUCTURE_DATABASE

 33 35  0  0  0  0  0  0  0  0999 V2000
    7.7268    5.6706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9941    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2613    5.6706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2613    6.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9941    6.9397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9869    8.5776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9869    9.3940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2798    9.8023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7268    6.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2798   10.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9869   11.0270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6938   10.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6938    9.8023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1080    9.8023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1080   10.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4010   11.0270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6938   11.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6938    9.1822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0210   11.3850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4010   11.8434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1080   12.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8150   11.8434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5220   12.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2290   11.8434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9361   12.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2290   11.0270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4010   12.6598    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6124   12.0546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.2624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4338    6.9248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4338    5.2624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9361   11.4352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9869    7.7612    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
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8 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 15  1  0  0  0  0
 15 16  1  0  0  0  0
  1  9  1  0  0  0  0
  5  9  2  0  0  0  0
  7 13  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  1  0  0  0
 13 18  1  6  0  0  0
 16 19  1  6  0  0  0
 16 20  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 24 26  1  0  0  0  0
 20 27  1  1  0  0  0
 20 28  1  6  0  0  0
  3 29  1  1  0  0  0
  9 30  1  0  0  0  0
  1 31  1  6  0  0  0
 24 32  1  0  0  0  0
  6 33  3  0  0  0  0
 33  5  1  0  0  0  0
M  END
> <LM_ID>
LMST03020175

> <COMMON_NAME>
1beta,25-dihydroxy-6,7-didehydro-3-epiprevitamin D3 / 1beta,25-dihydroxy-6,7-didehydro-3-epiprecholecalciferol

> <SYSTEMATIC_NAME>
(1R,3S)-9,10-seco-5(10),8-cholestadien-6-yne-1,3,25-triol

> <FORMULA>
C27H42O3

> <MASS>
414.31

> <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>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547395

> <LIPIDBANK_ID>
VVD0193

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020175

$$$$