LMST01010228
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0  0  0  0  0  0  0  0999 V2000
    9.0667    7.6735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0622    9.3116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3531    8.8981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3603    8.0795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7790    8.9062    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7761    8.0869    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1944    8.0819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1973    8.9013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4895    9.3160    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7531    9.7787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4807   10.1126    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.1864   10.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4907   10.9162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8775   10.1109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5716   10.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2627   10.1061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9566   10.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7752    7.2906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2627    9.2974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6554    7.6735    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6554    6.8588    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3603    6.4528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0667    6.8588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9551    8.0779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2548    7.6735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2548    6.8649    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9551    6.4606    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6554    8.4822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    6.4606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1884    9.6254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8565   10.5053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6554    6.0500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9551    5.6518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6554    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2548    5.2475    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
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
M  END
> <LM_ID>
LMST01010228

> <COMMON_NAME>


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

> <FORMULA>
C28H46O3

> <MASS>
430.34

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RODBXVVNKJCWQR-GSQAGGHASA-N

> <INCHI>
InChI=1S/C28H46O3/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(26(30)31)24(29)14-16-28(23,5)22(19)13-15-27(20,21)4/h17-18,20-21,23-25,29H,6-16H2,1-5H3,(H,30,31)/t18-,20-,21+,23+,24+,25+,27-,28-/m1/s1

> <SMILES>
C12CC[C@@]3([H])[C@H](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>
HMDB0062386

> <CHEBI_ID>
87293

> <ABBREVIATION>
ST 28:2;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
SLM:000485691

> <PUBCHEM_COMPOUND_ID>
44263318

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$