LMST01010227
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0  0  0  0  0  0  0  0999 V2000
    9.0685    7.8147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0640    9.4536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3545    9.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3617    8.2209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7811    9.0481    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7782    8.2283    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1972    8.2233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2001    9.0432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4920    9.4581    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7552    9.9210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4832   10.2551    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.1892   10.6558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4931   11.0590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8807   10.2534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5751   10.6510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2666   10.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9608   10.6461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7773    7.4317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2666    9.4394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6565    7.8147    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6565    6.9995    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3617    6.5934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0685    6.9995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9558    8.2193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2551    7.8147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2551    7.0056    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9558    6.6012    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6565    8.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    6.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1912    9.7676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8586   10.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6565    6.1904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3836    6.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3604    5.9005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5931    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5745    6.0290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  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
  5 10  1  1  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  1  0  0  0
 12 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
  6 18  1  6  0  0  0
 16 19  1  0  0  0  0
  4 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23  1  1  0  0  0  0
 20 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 21  1  0  0  0  0
 20 28  1  1  0  0  0
 26 29  1  1  0  0  0
  9 30  1  6  0  0  0
 11 31  1  6  0  0  0
 21 32  1  6  0  0  0
 27 33  1  6  0  0  0
 27 34  1  1  0  0  0
 33 35  1  0  0  0  0
 33 36  2  0  0  0  0
M  END
> <LM_ID>
LMST01010227

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
4alpha-carboxy-4beta-methyl-5alpha-cholesta-8-en-3beta-ol

> <FORMULA>
C29H48O3

> <MASS>
444.36

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GLCDBDRQLZKKOJ-LJAIZBFVSA-N

> <INCHI>
InChI=1S/C29H48O3/c1-18(2)8-7-9-19(3)21-11-12-22-20-10-13-24-28(5,23(20)14-16-27(21,22)4)17-15-25(30)29(24,6)26(31)32/h18-19,21-22,24-25,30H,7-17H2,1-6H3,(H,31,32)/t19-,21-,22+,24-,25+,27-,28-,29+/m1/s1

> <SMILES>
C12CC[C@@]3([H])[C@](C)(C(=O)O)[C@@H](O)CC[C@]3(C)C=1CC[C@]1(C)[C@@]([H])([C@@](C)([H])CCCC(C)C)CC[C@@]21[H]

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0062384

> <CHEBI_ID>
87277

> <ABBREVIATION>
ST 29:2;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
SLM:000485689

> <PUBCHEM_COMPOUND_ID>
44263317

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$