LMST03020679
  LIPID_MAPS_STRUCTURE_DATABASE

 32 33  0  0  0  0  0  0  0  0999 V2000
    6.2646    6.4809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2646    5.6575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6907    5.6575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6907    6.4809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9777    6.8926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9777    7.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6907    8.1243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6907    8.9444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4038    9.3561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4038   10.1795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6907   10.5911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9777   10.1795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9777    9.3561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1869    9.1016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6708    9.7678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1869   10.4339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1869   11.2573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8999   11.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6130   11.2573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4038    8.5327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9822   10.6470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0782   11.1805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7913   11.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3261   11.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4767   11.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4009    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0782   10.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7913   10.7688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4038   11.0028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    6.8909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1869   12.0806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  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 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  8  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 10  1  0  0  0  0
 18 19  1  0  0  0  0
 23 24  1  0  0  0  0
 19 25  1  0  0  0  0
 25 23  1  0  0  0  0
 17 26  1  6  0  0  0
 16 17  1  0  0  0  0
 23 28  1  0  0  0  0
 23 29  1  0  0  0  0
 17 18  1  0  0  0  0
  2 20  1  0  0  0  0
  3 27  1  0  0  0  0
 16 22  1  6  0  0  0
 10 30  1  1  0  0  0
  9 21  1  6  0  0  0
  1 31  2  0  0  0  0
 17 32  1  1  0  0  0
M  END
> <LM_ID>
LMST03020679

> <COMMON_NAME>
2-Nor-1,3-seco-1alpha,25-dihydroxyvitamin D3

> <SYSTEMATIC_NAME>
(5ZE,7E)-2-nor-1,3-seco-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol

> <FORMULA>
C26H44O3

> <MASS>
404.33

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PDCWVQZLMVLGLG-YQRSRUBMSA-N

> <INCHI>
InChI=1S/C26H44O3/c1-19(8-6-15-25(3,4)29)23-12-13-24-22(9-7-16-26(23,24)5)11-10-21(14-17-27)20(2)18-28/h10-11,19,23-24,27-29H,2,6-9,12-18H2,1,3-5H3/b21-10+,22-11+/t19-,23-,24+,26-/m1/s1

> <SMILES>
C(=C)(/C(=C/C=C1\CCC[C@]2(C)[C@@]([H])([C@@]([H])(CCCC(O)(C)C)C)CC[C@@]\12[H])/CCO)CO

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
193474

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
24779650

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$