LMST03020214
  LIPID_MAPS_STRUCTURE_DATABASE

 34 36  0     0  0            999 V2000
    9.7036    6.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8169    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9305    6.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9305    7.8962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8169    8.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8169    9.4761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6727    9.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6727   10.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8169   11.4519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7036    7.8962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8169   12.4398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6727   12.9338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5279   12.4398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5279   11.4519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2391   11.4519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2391   12.4398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3836   12.9338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5279   13.2054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5279   10.7016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1339   13.3670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3836   13.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2391   14.4154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0946   13.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9500   14.4154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8055   13.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6610   14.4154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8055   12.9338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3836   14.9094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4294   14.1773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0750    6.3785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5591    6.3785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6610   13.4277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0750    8.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2196    7.8961    0.0000 F   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  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
 14 19  1  6  0  0  0
 17 20  1  6  0  0  0
 17 21  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 25 27  1  0  0  0  0
 21 28  1  1  0  0  0
 21 29  1  6  0  0  0
  3 30  1  6  0  0  0
  1 31  1  1  0  0  0
 25 32  1  0  0  0  0
  4 33  2  0  0  0  0
 33 34  1  0  0  0  0
M  END
> <LM_ID>
LMST03020214

> <COMMON_NAME>
(5E,10Z)-19-fluoro-1alpha,25-dihydroxyvitamin D3

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

> <FORMULA>
C27H43O3F

> <MASS>
434.32

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(5E,10Z)-19-fluoro-1alpha,25-dihydroxycholecalciferol

> <INCHI_KEY>
FYKDFTBGRZTDCR-AAOOTVJOSA-N

> <INCHI>
InChI=1S/C27H43FO3/c1-18(7-5-13-26(2,3)31)23-11-12-24-19(8-6-14-27(23,24)4)9-10-20-15-21(29)16-25(30)22(20)17-28/h9-10,17-18,21,23-25,29-31H,5-8,11-16H2,1-4H3/b19-9+,20-10+,22-17-/t18-,21-,23-,24+,25+,27-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547425

> <LIPIDBANK_ID>
VVD0232

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
11253922

$$$$