LMST03020110
  LIPID_MAPS_STRUCTURE_DATABASE

 32 34  0     0  0            999 V2000
    9.2632    6.5739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3740    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4849    6.5739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4849    7.6006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3740    8.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3740    9.1851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2321    9.6804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2321   10.6711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3740   11.1666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2632    7.6006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3740   12.1573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2321   12.6527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0899   12.1573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0899   11.1666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8060   11.1666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8060   12.1573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9481   12.6527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0899   12.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0156    8.0350    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
   10.0899   10.4141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9481   13.6432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8060   14.1386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9481   14.6339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9911   13.8997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6638   13.6432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1210    6.0786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6545   13.6432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5124   14.1386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3704   13.6432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5124   15.1291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3704   14.6339    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
  1 27  1  1  0  0  0
 26 28  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
M  END
> <LM_ID>
LMST03020110

> <COMMON_NAME>
(23Z)-1alpha,25-dihydroxy-16,17,23,24-tetradehydrovitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E,23Z)-(1S,3R)-9,10-seco-5,7,10(19),16,23-cholestapentaene-1,3,25-triol

> <FORMULA>
C27H40O3

> <MASS>
412.30

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(23Z)-1alpha,25-dihydroxy-16,17,23,24-tetradehydrocholecalciferol

> <INCHI_KEY>
DRNWXIXKGVAGPM-RMJAMEDKSA-N

> <INCHI>
InChI=1S/C27H40O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h6,10-12,14,18,22,24-25,28-30H,2,7-9,13,15-17H2,1,3-5H3/b14-6-,20-10+,21-11-/t18-,22-,24+,25+,27-/m1/s1

> <SMILES>
[C@@H]1(O)C(=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>
9547357

> <LIPIDBANK_ID>
VVD0125

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
-

$$$$