LMST03020609
  LIPID_MAPS_STRUCTURE_DATABASE

 32 34  0  0  0  0  0  0  0  0999 V2000
    6.9815   10.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9815    9.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6965    8.9593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4114    9.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4114   10.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6965   10.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1966    9.1170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6819    9.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1966   10.4528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6965    8.1371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1966   11.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9116   11.6912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4845   11.6895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4114   11.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6266   11.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3416   11.6912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9815    7.7243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9815    6.8987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2665    6.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2665    5.6603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9815    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6965    5.6603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6965    6.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.2492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4086    5.2492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0565   11.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7715   11.6912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0565   10.4562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3416   12.5135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4114    8.5465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7715   10.8656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1966   12.1040    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  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  3 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  6  0  0  0
  5 14  1  1  0  0  0
 12 15  1  0  0  0  0
 16 15  1  0  0  0  0
 10 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 18  1  0  0  0  0
 20 24  1  6  0  0  0
 22 25  1  1  0  0  0
 16 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 16 29  2  0  0  0  0
  4 30  1  6  0  0  0
 26 31  1  0  0  0  0
 11 32  1  1  0  0  0
M  END
> <LM_ID>
LMST03020609

> <COMMON_NAME>
1alpha,25-Dihydroxy-16-ene-19-nor-24-oxovitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E,16Z)-(1R,3R)-19-nor-24-oxo-9,10-seco-5,7,16-cholestatrien-1,3,25-triol

> <FORMULA>
C26H40O4

> <MASS>
416.29

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KEHHENHIHMFJAY-AVVHVZKBSA-N

> <INCHI>
InChI=1S/C26H40O4/c1-17(7-12-24(29)25(2,3)30)22-10-11-23-19(6-5-13-26(22,23)4)9-8-18-14-20(27)16-21(28)15-18/h8-10,17,20-21,23,27-28,30H,5-7,11-16H2,1-4H3/b19-9+/t17-,20-,21-,23+,26-/m1/s1

> <SMILES>
C1C[C@]2(C)C([C@]([H])(C)CCC(=O)C(O)(C)C)=CC[C@@]2([H])/C(=C/C=C2\C[C@@H](O)C[C@H](O)C\2)/C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
178726

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
24779622

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$