LMST04030206
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0  0  0  0  0  0  0  0999 V2000
    6.9063    7.2173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1182    6.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1182    5.8522    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9063    5.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6944    5.8522    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4823    5.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2707    5.8522    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2707    6.7621    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4823    7.2173    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6944    6.7621    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4823    8.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2707    8.5822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0586    8.1271    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0586    7.2173    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8468    8.5822    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0586    8.8325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6944    7.3993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8468    9.3102    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1057    9.5087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4772    9.6742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1077    9.3102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7383    9.6742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3685    9.3102    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.3572    8.8769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8468   10.0866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8614    5.4252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6944    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5174    9.3304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2707    7.5357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4651    6.4519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0586    6.5110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3685    8.6957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9991    9.6742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0337   10.4117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6349    7.2173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6349    8.1271    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.4228    8.5821    0.0000 O   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 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 15  1  0  0  0  0
 15 18  1  0  0  0  0
 18 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 34  1  0  0  0  0
 23 33  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 15  1  0  0  0  0
 13 16  1  1  0  0  0
 10 17  1  1  0  0  0
 18 19  1  6  0  0  0
 15 24  1  6  0  0  0
 18 25  1  1  0  0  0
  3 26  1  6  0  0  0
  7 27  1  6  0  0  0
  5 28  1  1  0  0  0
 34 29  1  0  0  0  0
  8 30  1  1  0  0  0
  9 31  1  6  0  0  0
 14 32  1  6  0  0  0
 34 35  2  0  0  0  0
 37 38  1  6  0  0  0
M  END
> <LM_ID>
LMST04030206

> <COMMON_NAME>
3alpha,7alpha,16alpha-Trihydroxy-5beta-cholestan-26-oic acid

> <SYSTEMATIC_NAME>
3alpha,7alpha,16alpha-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>
QZONSSHZQMQWEL-CQXSIBMESA-N

> <INCHI>
InChI=1S/C27H46O5/c1-15(6-5-7-16(2)25(31)32)24-22(30)14-20-23-19(9-11-27(20,24)4)26(3)10-8-18(28)12-17(26)13-21(23)29/h15-24,28-30H,5-14H2,1-4H3,(H,31,32)/t15-,16?,17+,18-,19+,20+,21-,22-,23-,24+,26+,27+/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
190386

> <ABBREVIATION>
ST 27:1;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52931541

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$