LMST03020662
  LIPID_MAPS_STRUCTURE_DATABASE

 32 34  0  0  0  0  0  0  0  0999 V2000
    6.2666    6.4861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2666    5.6604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9816    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6967    5.6604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6967    6.4861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9816    6.8990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9816    7.7213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6967    8.1342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6967    8.9564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4118    9.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4118   10.1950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6967   10.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9816   10.1950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9816    9.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1969    9.1141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6823    9.7821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1969   10.4501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4118   11.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1969   11.2758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9091   11.6870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6242   11.2741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3393   11.6870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0543   11.2741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7694   11.6870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0543   10.4518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9945   10.6638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4118    8.5436    0.0000 H   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
    8.4849   11.6870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4089    6.8973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1240    6.4845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1969   12.1015    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
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 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  9  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 11  1  0  0  0  0
 11 18  1  1  0  0  0
 17 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 24  1  0  0  0  0
 23 25  1  0  0  0  0
 17 26  1  6  0  0  0
 10 27  1  6  0  0  0
 19 29  1  6  0  0  0
  2 28  1  6  0  0  0
  5 30  1  1  0  0  0
 30 31  1  0  0  0  0
 19 32  1  1  0  0  0
M  END
> <LM_ID>
LMST03020662

> <COMMON_NAME>
19-Hydroxy-10S,19-dihydrovitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(3S,10S)-9,10-seco-5,7-cholestadiene-3,19-diol

> <FORMULA>
C27H46O2

> <MASS>
402.35

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AJXHPHZACZICEG-MQKNCZAVSA-N

> <INCHI>
InChI=1S/C27H46O2/c1-19(2)7-5-8-20(3)25-14-15-26-21(9-6-16-27(25,26)4)10-11-22-17-24(29)13-12-23(22)18-28/h10-11,19-20,23-26,28-29H,5-9,12-18H2,1-4H3/b21-10+,22-11-/t20-,23-,24+,25-,26+,27-/m1/s1

> <SMILES>
C1/C(=C/C=C2\CCC[C@]3(C)[C@@]([H])([C@]([H])(C)CCCC(C)C)CC[C@@]\23[H])/[C@@H](CO)CC[C@@H]1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
20841931

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$