LMST01010016
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0  0  0  0  0  0  0  0999 V2000
    9.0635    6.4671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0590    8.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3505    7.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3577    6.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7751    7.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7722    6.8801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1892    6.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1921    7.6938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4850    8.1081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0612    7.2698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7492    8.5704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4762    8.9040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1812    9.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4861    9.7068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8717    8.9023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5651    9.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2556    8.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9489    9.2945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7713    6.0846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2556    8.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6535    6.4671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6535    5.6531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3577    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0635    5.6531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9538    6.8711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2541    6.4671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2541    5.6592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9538    5.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6535    7.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.2553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1832    8.4172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8525    9.2963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3577    6.0648    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  5  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  6  7  1  0  0  0  0
  1 10  1  1  0  0  0
  5 11  1  1  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
  6 19  1  6  0  0  0
 17 20  1  0  0  0  0
  4 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24  1  1  0  0  0  0
 21 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 22  1  0  0  0  0
 21 29  1  1  0  0  0
 27 30  1  1  0  0  0
  9 31  1  6  0  0  0
 12 32  1  6  0  0  0
  4 33  1  6  0  0  0
M  END
> <LM_ID>
LMST01010016

> <COMMON_NAME>
Desmosterol

> <SYSTEMATIC_NAME>
cholest-5,24-dien-3beta-ol

> <FORMULA>
C27H44O

> <MASS>
384.34

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AVSXSVCZWQODGV-DPAQBDIFSA-N

> <INCHI>
InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,9,19,21-25,28H,6,8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1

> <SMILES>
[C@]12(CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])CC/C=C(\C)/C)CC[C@@]21[H])[H]

> <KEGG_ID>
C01802

> <HMDB_ID>
HMDB0002719

> <CHEBI_ID>
17737

> <ABBREVIATION>
ST 27:2;O

> <CAYMAN_ID>
14943

> <SWISSLIPIDS_ID>
SLM:000399872

> <PUBCHEM_COMPOUND_ID>
439577

> <LIPIDBANK_ID>
SST9090

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606; 10090

> <CITATION>
20671299; 20574076

$$$$