LMST05020012
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0     0  0            999 V2000
   10.1775    8.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2209    8.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2209    6.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1775    6.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1342    6.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0908    6.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0476    6.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0476    8.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0908    8.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1342    8.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0908    9.6827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0476   10.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0040    9.6827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0040    8.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9175    8.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9175    9.6827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9609   10.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0040   10.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1342    8.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9609   11.1188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0614   11.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7262   11.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4914   11.1188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2569   11.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0221   11.1188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7874   11.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0221   10.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5805   10.5928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9609   12.0610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5367    6.5261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2552   12.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0476    8.9649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0701    7.6490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0040    7.7209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5709    7.0838    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.5998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5709    7.7934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3409    6.2263    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  1  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
 17 20  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  1  0  0  0  0
  9 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  1  1  0  0  0
 20 21  1  6  0  0  0
 17 28  1  6  0  0  0
 20 29  1  1  0  0  0
  3 30  1  1  0  0  0
 24 31  2  0  0  0  0
  8 32  1  1  0  0  0
  9 33  1  6  0  0  0
 14 34  1  6  0  0  0
 30 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 35 38  2  0  0  0  0
M  END
> <LM_ID>
LMST05020012

> <COMMON_NAME>
24-methylene-cholesterol sulfate

> <SYSTEMATIC_NAME>
24-methylene-cholest-5-en-3beta-ol-3-sulfate

> <FORMULA>
C28H46O4S

> <MASS>
478.31

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroid conjugates [ST05]

> <SUB_CLASS>
Sulfates [ST0502]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AMOPPXJCFANYMU-PXBBAZSNSA-N

> <INCHI>
InChI=1S/C28H46O4S/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(32-33(29,30)31)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18,20,22-26H,3,7-8,10-17H2,1-2,4-6H3,(H,29,30,31)/t20-,22+,23+,24-,25+,26+,27+,28-/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCC(=C)C(C)C)CC[C@@]4([H])[C@]3([H])CC=C2C[C@@H](OS(=O)(=O)O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186217

> <ABBREVIATION>
ST 28:2;O;S

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
24779661

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Sterol Lipids [ST]

> <ALT_MAIN_CLASSES>
Sterols [ST01]

> <ALT_SUB_CLASSES>
Ergosterols and C24-methyl derivatives [ST0103]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2858

> <CITATION>
27519997

$$$$