LMST03020480
  LIPID_MAPS_STRUCTURE_DATABASE

 35 37  0     0  0            999 V2000
    9.2653    6.5744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3754    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4856    6.5744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4856    7.6018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3754    8.1155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3754    9.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2342    9.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2342   10.6748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3754   11.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2653    7.6018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3754   12.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2342   12.6578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0926   12.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0926   11.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8101   11.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8101   12.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9514   12.6578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0926   12.9306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0183    8.0366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.1395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0926   10.4176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9514   13.6493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1238    6.0787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8100   14.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0929   14.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6686   14.6407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5261   15.1364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3849   14.6411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2432   15.1373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1020   14.6420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1020   13.6506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9605   15.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9605   14.1463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8192   14.6420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9605   13.1548    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
 10 19  2  0  0  0  0
  3 20  1  6  0  0  0
 14 21  1  6  0  0  0
 17 22  2  0  0  0  0
  1 23  1  1  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 24 26  3  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 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
 30 33  1  0  0  0  0
 32 34  1  0  0  0  0
 31 35  1  0  0  0  0
M  END
> <LM_ID>
LMST03020480

> <COMMON_NAME>
(17Z)-1alpha,25-dihydroxy-26,27-dimethyl-17,20,22,22,23,23-hexadehydro-24a,24b-dihomovitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E,17Z)-(1S,3R)-26,27-dimethyl-24a,24b-dihomo-9,10-seco-5,7,10(19),17(20)-cholestatetraen-22-yne-1,3,25-triol

> <FORMULA>
C31H46O3

> <MASS>
466.34

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(17Z)-1alpha,25-dihydroxy-26,27-dimethyl-17,20,22,22,23,23-hexadehydro-24a,24b-dihomocholecalciferol

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547584

> <LIPIDBANK_ID>
VVD0570

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020480

$$$$