LMST03020464
  LIPID_MAPS_STRUCTURE_DATABASE

 36 38  0     0  0            999 V2000
    9.3629    6.5728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4756    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5885    6.5728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5885    7.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4756    8.1095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4756    9.1782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3319    9.6725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3319   10.6610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4756   11.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3629    7.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4756   12.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3319   12.6381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1879   12.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1879   11.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9000   11.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9000   12.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0440   12.6381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1879   12.9099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1879   10.4045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7947   13.0716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0440   13.6265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9000   14.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7560   13.6265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6120   14.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4680   13.6265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3241   14.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0440   14.6150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0892   13.8824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.0787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2188    8.0914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2189    6.0787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1801   13.6267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3241   15.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1801   14.6150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1801   15.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0361   14.1208    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
  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
 14 19  1  6  0  0  0
 17 20  1  6  0  0  0
 17 21  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
 26 25  1  0  0  0  0
 21 27  1  1  0  0  0
 21 28  1  6  0  0  0
  3 29  1  6  0  0  0
 10 30  2  0  0  0  0
  1 31  1  1  0  0  0
 26 32  1  0  0  0  0
 26 33  1  0  0  0  0
 26 34  1  0  0  0  0
 33 35  1  0  0  0  0
 32 36  1  0  0  0  0
M  END
> <LM_ID>
LMST03020464

> <COMMON_NAME>
1alpha,25-dihydroxy-26,27-dimethyl-24a-homovitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(1S,3R)-26,27-dimethyl-24a-homo-9,10-seco-5,7,10(19)-cholestatrien-1,3,25-triol

> <FORMULA>
C30H50O3

> <MASS>
458.38

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
1alpha,25-dihydroxy-26,27-dimethyl-24a-homocholecalciferol

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547569

> <LIPIDBANK_ID>
VVD0554

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020464

$$$$