LMST04030203
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0  0  0  0  0  0  0  0999 V2000
    6.9300    7.2519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1281    6.7887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1281    5.8627    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9300    5.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7320    5.8627    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5340    5.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    5.8627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    6.7887    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5340    7.2519    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7320    6.7887    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5340    8.1779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    8.6410    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1379    8.1779    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1379    7.2519    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.7421    7.2519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7421    8.1779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9400    8.6410    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1379    8.8957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7320    7.4372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9400    9.3818    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1858    9.5838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5816    9.7522    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.2232    9.3818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8648    9.7522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5063    9.3818    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.1480    9.7522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5063    8.7564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4594    8.9408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9400   10.1718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    9.3335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5816   10.3503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7320    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1480   10.2845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6754    9.4024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    7.5761    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5165    6.4731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1379    6.5333    0.0000 H   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  1  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  6  0  0  0
 12 31  1  6  0  0  0
 22 32  1  1  0  0  0
  5 33  1  1  0  0  0
 26 34  2  0  0  0  0
 26 35  1  0  0  0  0
  8 36  1  1  0  0  0
  9 37  1  6  0  0  0
 14 38  1  6  0  0  0
M  END
> <LM_ID>
LMST04030203

> <COMMON_NAME>
3alpha,12alpha,22S-Trihydroxy-5beta-cholestan-26-oic acid

> <SYSTEMATIC_NAME>
3alpha,12alpha,22S-Trihydroxy-5beta-cholestan-26-oic acid

> <FORMULA>
C27H46O5

> <MASS>
450.33

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Bile acids and derivatives [ST04]

> <SUB_CLASS>
C27 bile acids, alcohols, and derivatives [ST0403]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NKHARVSPBOBBTD-SDYQWKDTSA-N

> <INCHI>
InChI=1S/C27H46O5/c1-15(25(31)32)5-10-23(29)16(2)20-8-9-21-19-7-6-17-13-18(28)11-12-26(17,3)22(19)14-24(30)27(20,21)4/h15-24,28-30H,5-14H2,1-4H3,(H,31,32)/t15?,16-,17+,18+,19-,20+,21-,22-,23-,24-,26-,27+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186956

> <ABBREVIATION>
ST 27:1;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52931538

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$