LMST03020046
  LIPID_MAPS_STRUCTURE_DATABASE

 32 34  0     0  0            999 V2000
    9.2723    6.5758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3799    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4877    6.5758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4877    7.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3799    8.1213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3799    9.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2410    9.6935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2410   10.6877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3799   11.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2723    7.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3799   12.1791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2410   12.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1020   12.1791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1020   11.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8243   11.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8243   12.1791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9632   12.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1020   12.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0274    8.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.1397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1020   10.4297    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7183   13.1123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9632   13.6704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8241   14.1675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9632   14.6647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0028   13.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6851   13.6704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5462   14.1675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4072   13.6704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1333    6.0786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5462   15.1617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4072   14.6647    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  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
 23 25  1  1  0  0  0
 23 26  1  6  0  0  0
 27 24  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
  1 30  1  1  0  0  0
 28 31  1  0  0  0  0
 28 32  1  0  0  0  0
M  END
> <LM_ID>
LMST03020046

> <COMMON_NAME>
1alpha,25-dihydroxy-24-norvitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(1S,3R)-24-nor-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol

> <FORMULA>
C26H42O3

> <MASS>
402.31

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
1alpha,25-dihydroxy-24-norcholecalciferol

> <INCHI_KEY>
NEPGKWAOGVSEMP-ZPURXJTESA-N

> <INCHI>
InChI=1S/C26H42O3/c1-17(12-14-25(3,4)29)22-10-11-23-19(7-6-13-26(22,23)5)8-9-20-15-21(27)16-24(28)18(20)2/h8-9,17,21-24,27-29H,2,6-7,10-16H2,1,3-5H3/b19-8+,20-9-/t17-,21-,22-,23+,24+,26-/m1/s1

> <SMILES>
[C@@H]1(O)C(=C)/C(=C\C=C2\[C@]3([H])CC[C@@]([C@@](C)([H])CCC(O)(C)C)([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>
9547305

> <LIPIDBANK_ID>
VVD0048

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
3477545

$$$$