LMST03020636
  LIPID_MAPS_STRUCTURE_DATABASE

 32 34  0  0  0  0  0  0  0  0999 V2000
    6.2662    6.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2662    5.4128    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9812    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6963    5.4128    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6963    6.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9812    6.6511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9812    7.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4085    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6963    7.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6963    8.7084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4114    9.1212    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4114    9.9469    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6963   10.3597    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9812    9.9469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9812    9.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1964    8.8662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6818    9.5340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1964   10.2018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.0017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4114   10.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4114    8.2956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4085    5.0017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6963   11.1851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4114   11.5979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1263   11.1851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8411   11.5979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5562   11.1851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2711   11.5979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9862   11.1851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7012   11.5979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9862   10.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7012   10.7723    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  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  2  0  0  0  0
  5  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  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 15  1  0  0  0  0
 15 10  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 12  1  0  0  0  0
 12 20  1  1  0  0  0
 11 21  1  6  0  0  0
  2 19  1  6  0  0  0
  4 22  1  1  0  0  0
 13 23  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
M  END
> <LM_ID>
LMST03020636

> <COMMON_NAME>
20(17->12beta)-abeo-1alpha,25-dihydroxy-24-dihomo-21-norvitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(1S,3R,12R)-21-nor-24a,24b-dihomo-9,10-seco-20(17->12beta)-abeo-5,7,10(19)-cholestatriene-1,3,25-triol

> <FORMULA>
C28H46O3

> <MASS>
430.34

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QYYKGLLHBFTBFY-DDWZFWDPSA-N

> <INCHI>
InChI=1S/C28H46O3/c1-20-22(18-24(29)19-26(20)30)13-12-21-14-15-23(28(4)17-9-11-25(21)28)10-7-5-6-8-16-27(2,3)31/h12-13,23-26,29-31H,1,5-11,14-19H2,2-4H3/b21-12+,22-13-/t23-,24-,25+,26+,28+/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
190314

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11597177

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
16509569

$$$$