LMST03020306
  LIPID_MAPS_STRUCTURE_DATABASE

 35 37  0     0  0            999 V2000
    9.4591    6.9137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5011    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5433    6.9137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5433    8.0198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5011    8.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5011    9.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4256   10.2606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4256   11.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5011   11.8617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4591    8.0198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5011   12.9290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4256   13.4627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3498   12.9290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3498   11.8617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1986   11.8617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1986   12.9290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2743   13.4627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3498   13.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2697    8.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2743   14.3166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4050   14.5495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0137   14.7435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7532   14.3166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4928   14.7435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2320   14.3166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9717   14.7435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2320   13.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2697    6.4456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.4456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7532   13.5060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0427   13.8485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7823   14.2754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3498   11.0511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0849   13.9308    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2743   15.1272    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  1  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
 23 30  1  1  0  0  0
 25 31  1  6  0  0  0
 26 32  1  0  0  0  0
 14 33  1  6  0  0  0
 17 34  1  6  0  0  0
 20 35  1  1  0  0  0
M  END
> <LM_ID>
LMST03020306

> <COMMON_NAME>
(23S,25R)-1alpha,23,25,26-tetrahydroxyvitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(1S,3R,23S,25R)-9,10-seco-5,7,10(19)-cholestatriene-1,3,23,25,26-pentol

> <FORMULA>
C27H44O5

> <MASS>
448.32

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(23S,25R)-1alpha,23,25,26-tetrahydroxycholecalciferol

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283763

> <LIPIDBANK_ID>
VVD0333

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020306

$$$$