LMST03020129
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0     0  0            999 V2000
    9.2731    6.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3804    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4879    6.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4879    7.9066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3804    8.4219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3804    9.4971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2419    9.9946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2419   10.9891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3804   11.4865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2731    7.9066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3804   12.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2419   12.9784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1031   12.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1031   11.4865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8259   11.4865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8259   12.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9645   12.9784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1031   13.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0284    8.3427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.4398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1031   10.7311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7198   13.4145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9645   13.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8258   14.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6870   13.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5483   14.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4096   13.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2710   14.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9645   14.9675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0039   14.2304    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.1344    6.3787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5483   15.4647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2710   13.4756    0.0000 C   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
 10 19  2  0  0  0  0
  3 20  1  6  0  0  0
 14 21  1  6  0  0  0
 17 22  1  6  0  0  0
 17 23  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
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 23 29  1  1  0  0  0
 23 30  1  6  0  0  0
  1 31  1  1  0  0  0
 26 32  1  6  0  0  0
 28 33  1  0  0  0  0
 33 27  1  0  0  0  0
M  END
> <LM_ID>
LMST03020129

> <COMMON_NAME>
(20R,24S)-20-fluoro-1alpha,24-dihydroxy-26,27-cyclovitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(1S,3R,20R,24S)-20-fluoro-26,27-cyclo-9,10-seco-5,7,10(19)-cholestatriene-1,3,24-triol

> <FORMULA>
C27H41O3F

> <MASS>
432.30

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(20R,24S)-20-fluoro-1alpha,24-dihydroxy-26,27-cyclocholecalciferol

> <INCHI_KEY>
HWJFYSSICSOIHQ-YIKPAZHXSA-N

> <INCHI>
InChI=1S/C27H41FO3/c1-17-20(15-21(29)16-24(17)31)9-6-18-5-4-13-26(2)22(18)10-11-25(26)27(3,28)14-12-23(30)19-7-8-19/h6,9,19,21-25,29-31H,1,4-5,7-8,10-16H2,2-3H3/b18-6+,20-9-/t21-,22+,23+,24+,25+,26+,27-/m1/s1

> <SMILES>
[C@@H]1(O)C(=C)/C(=C\C=C2\[C@]3([H])CC[C@@]([C@@](F)(C)CC[C@H](O)C4CC4)([H])[C@@]3(C)CCC\2)/C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547374

> <LIPIDBANK_ID>
VVD0147

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
-

$$$$