LMST03020521
  LIPID_MAPS_STRUCTURE_DATABASE

 38 40  0     0  0            999 V2000
    9.3644    6.5731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4767    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5891    6.5731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5891    7.5982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4767    8.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4767    9.1799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3333    9.6746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3333   10.6637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4767   11.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3644    7.5982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4767   12.1473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3333   12.6420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1898   12.1473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1898   11.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9030   11.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9030   12.1473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0464   12.6420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1898   12.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1898   10.4070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7977   13.0757    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0464   13.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9030   14.1255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7595   13.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6160   14.1255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4725   13.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3291   14.1255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0464   14.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0912   13.8869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.0787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2209    8.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2210    6.0787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1856   13.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3291   15.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1856   14.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1856   15.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1856   16.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0421   14.1255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8986   13.6311    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
 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
 21 27  1  1  0  0  0
 21 28  1  6  0  0  0
  3 29  1  6  0  0  0
 10 30  2  0  0  0  0
  1 31  1  1  0  0  0
 26 32  1  0  0  0  0
 26 33  1  0  0  0  0
 26 34  1  0  0  0  0
 35 33  1  0  0  0  0
 36 35  1  0  0  0  0
 32 37  1  0  0  0  0
 37 38  1  0  0  0  0
M  END
> <LM_ID>
LMST03020521

> <COMMON_NAME>
1alpha,25-dihydroxy-26,27-diethyl-24a-homovitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(1S,3R)-26,27-diethyl-24a-homo-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol

> <FORMULA>
C32H54O3

> <MASS>
486.41

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
1alpha,25-dihydroxy-26,27-diethyl-24a-homocholecalciferol

> <INCHI_KEY>
ZAIVFGVDYRYODM-IXDWRQDTSA-N

> <INCHI>
InChI=1S/C32H54O3/c1-6-17-32(35,18-7-2)20-9-8-11-23(3)28-15-16-29-25(12-10-19-31(28,29)5)13-14-26-21-27(33)22-30(34)24(26)4/h13-14,23,27-30,33-35H,4,6-12,15-22H2,1-3,5H3/b25-13+,26-14-/t23-,27-,28-,29+,30+,31-/m1/s1

> <SMILES>
[C@@H]1(O)C(=C)/C(=C\C=C2\[C@]3([H])CC[C@@]([C@@](C)([H])CCCCC(O)(CCC)CCC)([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>
9547625

> <LIPIDBANK_ID>
VVD0611

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
-

$$$$