LMST03020288
  LIPID_MAPS_STRUCTURE_DATABASE

 34 36  0     0  0            999 V2000
    9.4448    6.9108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4919    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5390    6.9108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5390    8.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4919    8.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4919    9.7092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4115   10.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4115   11.3018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4919   11.8328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4448    8.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4919   12.8945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4115   13.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3308   12.8945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3308   11.8328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1699   11.8328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1699   12.8945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2504   13.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3308   13.7176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2511    8.4767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2504   14.2749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3858   14.5065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9861   14.6996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7217   14.2749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4573   14.6996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1927   14.2749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9285   14.6996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1927   13.5578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2511    6.4452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.4452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6854   13.3602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9991   13.8093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3308   11.0264    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0568   13.8911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2504   15.0813    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
 11 30  1  1  0  0  0
 25 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>
LMST03020288

> <COMMON_NAME>
1alpha,11beta,25-trihydroxyvitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(1S,3R,11R)-9,10-seco-5,7,10(19)-cholestatriene-1,3,11,25-tetrol

> <FORMULA>
C27H44O4

> <MASS>
432.32

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
1alpha,11beta,25-trihydroxycholecalciferol

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283752

> <LIPIDBANK_ID>
VVD0315

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020288

$$$$