LMST01010356
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0  0  0  0  0  0  0  0999 V2000
    6.9536    6.8631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2540    6.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6532    5.6514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3528    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0523    5.6514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0830    8.0749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3833    7.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1817    6.8631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1817    7.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7826    9.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1817    9.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8813    8.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2805    8.0749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2805    8.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9801    9.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4821    8.0749    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.4821    8.8827    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.1817    8.4788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4821    9.6905    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6532    6.4592    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6532    7.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7826    7.6710    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7826    8.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7826    6.8631    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0830    6.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3833    6.8631    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7826    6.0553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3833    6.0553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2540    5.6514    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9536    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5809    9.2866    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.5809   10.0944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
 20  1  1  0  0  0  0
  2 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30  3  1  0  0  0  0
 26 20  1  0  0  0  0
 20  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
 25  5  2  0  0  0  0
 25 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26  7  1  0  0  0  0
  6  7  1  0  0  0  0
 22  6  1  0  0  0  0
 24 22  1  0  0  0  0
 22 16  1  0  0  0  0
 16  9  1  0  0  0  0
  8  9  1  0  0  0  0
 24  8  1  0  0  0  0
 16 17  1  0  0  0  0
 17 10  1  0  0  0  0
 17 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 32  1  0  0  0  0
 32 14  1  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  0  0  0  0
 16 18  1  6  0  0  0
 17 19  1  1  0  0  0
 20 21  1  1  0  0  0
 22 23  1  1  0  0  0
 24 27  1  6  0  0  0
 26 28  1  6  0  0  0
 29 31  1  1  0  0  0
 32 33  1  6  0  0  0
M  END
> <LM_ID>
LMST01010356

> <COMMON_NAME>
24S-OH-7-DHC

> <SYSTEMATIC_NAME>
cholesta-5,7-dien-3beta,24S-diol

> <FORMULA>
C27H44O2

> <MASS>
400.33

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JZCPTPIGOKTFQQ-ADYUQSCBSA-N

> <INCHI>
InChI=1S/C27H44O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7-8,17-18,20,22-25,28-29H,6,9-16H2,1-5H3/t18-,20+,22-,23+,24+,25+,26+,27-/m1/s1

> <SMILES>
C1[C@@]2(C)C(=CC=C3[C@]2([H])CC[C@]2(C)[C@@]([H])([C@@]([H])(CC[C@H](O)C(C)C)C)CC[C@@]32[H])C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
137061

> <ABBREVIATION>
ST 27:2;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
56940691

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
10116

> <CITATION>
21817059

$$$$