LMST04010309
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0  0  0  0  0  0  0  0999 V2000
    6.9040    7.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1173    6.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1173    5.8510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9040    5.3967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6907    5.8510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4776    5.3967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2643    5.8510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2643    6.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4776    7.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6907    6.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4776    8.1222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2643    8.5765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0510    8.1222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0510    7.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6245    7.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6245    8.1222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8378    8.5765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0510    8.8263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6907    7.3956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8378    9.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0980    9.5015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4672    9.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0966    9.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7260    9.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8541    5.4247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2643    9.2559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6907    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3553    9.3032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2643    7.5318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4604    6.4497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0510    6.5088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3473    8.8707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8378   10.0783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7260   10.1764    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 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
  3 25  1  6  0  0  0
  7 26  1  6  0  0  0
 12 27  1  6  0  0  0
  5 28  1  1  0  0  0
 24 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
 17 33  1  6  0  0  0
 20 34  1  1  0  0  0
 24 35  2  0  0  0  0
M  END
> <LM_ID>
LMST04010309

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-al

> <FORMULA>
C24H40O4

> <MASS>
392.29

> <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>
ZYUGWIRQWCNRJP-YHEMGIGTSA-N

> <INCHI>
InChI=1S/C24H40O4/c1-14(5-4-10-25)17-6-7-18-22-19(13-21(28)24(17,18)3)23(2)9-8-16(26)11-15(23)12-20(22)27/h10,14-22,26-28H,4-9,11-13H2,1-3H3/t14-,15+,16-,17-,18+,19+,20-,21+,22+,23+,24-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
193208

> <ABBREVIATION>
ST 24:1;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5314032

> <LIPIDBANK_ID>
BBA0485

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$