LMST03020100
  LIPID_MAPS_STRUCTURE_DATABASE

 31 33  0     0  0            999 V2000
    9.2625    6.8738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3737    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4847    6.8738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4847    7.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3737    8.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3737    9.4841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2314    9.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2314   10.9698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3737   11.4652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2625    7.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3737   12.4555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2314   12.9508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0890   12.4555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0890   11.4652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8046   11.4652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8046   12.4555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9469   12.9508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0890   13.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0148    8.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.4395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0890   10.7128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9469   13.9411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8045   14.4363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9469   14.9315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9903   14.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6622   13.9411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5199   14.4363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3776   13.9411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2353   14.4363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3776   12.9508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2353   13.4459    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
 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  2  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  1  0  0  0  0
 23 22  1  0  0  0  0
 22 24  1  1  0  0  0
 22 25  1  6  0  0  0
 26 23  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
> <LM_ID>
LMST03020100

> <COMMON_NAME>
25-hydroxy-16,17,23,24-tetradehydrovitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E,23E)-(3S)-9,10-seco-5,7,10(19),16,23-cholestapentaene-3,25-diol

> <FORMULA>
C27H40O2

> <MASS>
396.30

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
25-hydroxy-16,17,23,24-tetradehydrocholecalciferol

> <INCHI_KEY>
BHWGGPXSQWTJKO-FRHDWKPBSA-N

> <INCHI>
InChI=1S/C27H40O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h6,11-12,14,16,20,23,25,28-29H,1,7-10,13,15,17-18H2,2-5H3/b16-6+,21-11+,22-12-/t20-,23+,25+,27-/m1/s1

> <SMILES>
C1C(=C)/C(=C\C=C2\[C@]3([H])CC=C([C@@](C)([H])C/C=C/C(O)(C)C)[C@@]3(C)CCC\2)/C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547349

> <LIPIDBANK_ID>
VVD0115

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
-

$$$$