LMST04010343
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0  0  0  0  0  0  0  0999 V2000
    5.7763    7.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.7393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.8430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7763    5.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5525    5.8430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3288    5.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1051    5.8430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1051    6.7393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3288    7.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5525    6.7393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3288    8.0838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1051    8.5321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8813    8.0838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8813    7.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4339    7.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4339    8.0838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6576    8.5321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8813    8.7786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5525    7.3669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6576    9.2491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9277    9.4447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2786    9.6077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8996    9.2491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5206    9.6077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9639    6.7661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5525    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5206   10.2314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1415    9.2491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1051    7.5013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3118    6.4337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8813    6.4920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1603    8.8223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6576   10.0138    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
  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
 15 25  1  6  0  0  0
  5 26  1  1  0  0  0
 24 27  2  0  0  0  0
 24 28  1  0  0  0  0
  8 29  1  1  0  0  0
  9 30  1  6  0  0  0
 14 31  1  6  0  0  0
 17 32  1  6  0  0  0
 20 33  1  1  0  0  0
M  END
> <LM_ID>
LMST04010343

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
15alpha-Hydroxy-5beta-cholan-24-oic Acid

> <FORMULA>
C24H40O3

> <MASS>
376.30

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Bile acids and derivatives [ST04]

> <SUB_CLASS>
C24 bile acids, alcohols, and derivatives [ST0401]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KXIKKNSMKRZLPY-AIJOBLPRSA-N

> <INCHI>
InChI=1S/C24H40O3/c1-15(7-10-21(26)27)19-14-20(25)22-17-9-8-16-6-4-5-12-23(16,2)18(17)11-13-24(19,22)3/h15-20,22,25H,4-14H2,1-3H3,(H,26,27)/t15-,16+,17-,18+,19-,20+,22-,23+,24-/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCC(O)=O)C[C@H](O)[C@@]4([H])[C@]3([H])CC[C@]2([H])CCC1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 24:1;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5284090

> <LIPIDBANK_ID>
BBA0627

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$