LMST03020185
  LIPID_MAPS_STRUCTURE_DATABASE

 34 36  0  0  0  0  0  0  0  0999 V2000
    7.7921    5.7015    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0059    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2198    5.7015    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2198    6.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0059    7.0630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0059    8.0102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7645    8.4481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7645    9.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0059    9.7620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7921    6.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0059   10.6380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7645   11.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5229   10.6380    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5229    9.7620    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0402    9.7620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0402   10.6380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2816   11.0761    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5229   11.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4572    6.9934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2816   11.7767    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5683   11.9679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8886   12.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4955   11.7767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1023   12.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7090   11.7767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3161   12.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7090   11.1852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4572    5.3173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.3173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3743   11.3927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8578   11.7011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5229    9.0968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9469   11.4602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2816   12.4421    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
  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
 25 30  1  0  0  0  0
 18 31  2  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
  6  5  2  0  0  0  0
M  END
> <LM_ID>
LMST03020185

> <COMMON_NAME>
1alpha,25-dihydroxy-18-oxovitamin D3 / 1alpha,25-dihydroxy-18-oxocholecalciferol

> <SYSTEMATIC_NAME>
(5Z,7E)-(1S,3R)-1,3,25-trihydroxy-9,10-seco-5,7,10(19)-cholestatrien-18-al

> <FORMULA>
C27H42O4

> <MASS>
430.31

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FGSHQAWIIFPTLS-ALXHSOSYSA-N

> <INCHI>
InChI=1S/C27H42O4/c1-18(7-5-13-26(3,4)31)23-11-12-24-20(8-6-14-27(23,24)17-28)9-10-21-15-22(29)16-25(30)19(21)2/h9-10,17-18,22-25,29-31H,2,5-8,11-16H2,1,3-4H3/b20-9+,21-10-/t18-,22-,23-,24+,25+,27+/m1/s1

> <SMILES>
[C@@H]1(O)C(=C)/C(=C\C=C2\[C@]3([H])CC[C@@]([H])([C@@]3(C=O)CCC\2)[C@]([H])(C)CCCC(O)(C)C)/C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
178601

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52931516

> <LIPIDBANK_ID>
VVD0203

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$