LMST03020594
  LIPID_MAPS_STRUCTURE_DATABASE

 35 37  0     0  0            999 V2000
   12.3937    6.5695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5120    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6305    6.5695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6305    7.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5120    8.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5120    9.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3628    9.6498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3628   10.6320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5120   11.1233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3937    7.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5120   12.1055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3628   12.5968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2134   12.1055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2134   11.1233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9149   11.1233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9149   12.1055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0643   12.5968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2134   10.3771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8103   13.0275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0643   13.5789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9149   14.0701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2444    8.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7799    6.0785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2443    6.0785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2135   13.0877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2136   14.0701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3628   13.5787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5122   13.0877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6615   13.5787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6793   13.5787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6970   13.5787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7149   13.5787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2237   12.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2237   14.4294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   13.5787    0.0000 O   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
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  1 10  1  0  0  0  0
  5 10  1  0  0  0  0
  8 14  1  0  0  0  0
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 17 19  1  6  0  0  0
 17 20  1  0  0  0  0
 21 20  1  0  0  0  0
 10 22  2  0  0  0  0
  3 23  1  6  0  0  0
  1 24  1  1  0  0  0
 13 25  1  1  0  0  0
 20 26  1  0  0  0  0
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M  END
> <LM_ID>
LMST03020594

> <COMMON_NAME>
1alpha-hydroxy-18-(5-hydroxy-5-methyl-3-hexynyloxy)-23,24,25,26,27-pentanorvitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(1S,3R)-18-(5-hydroxy-5-methyl-3-hexynyloxy)-23,24-dinor-9,10-seco-5,7,10(19)-cholatriene-1,3-diol

> <FORMULA>
C29H44O4

> <MASS>
456.32

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
1alpha-hydroxy-18-(5-hydroxy-5-methyl-3-hexynyloxy)-23,24,25,26,27-pentanorcholecalciferol

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547689

> <LIPIDBANK_ID>
VVD0696

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020594

$$$$