LMST04010201
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0     0  0            999 V2000
    8.3359    8.5192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4012    7.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4012    6.9003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3359    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2705    6.9003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2051    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1398    6.9003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1398    7.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2051    8.5192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2705    7.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2051    9.5984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1398   10.1382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0744    9.5984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0744    8.5192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9438    8.5192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9438    9.5984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0092   10.1382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0744   10.4350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2705    8.7352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0092   11.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1303   11.2369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7569   11.4332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5046   11.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2523   11.4332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.5144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2523   12.1842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   11.0015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1398    8.8971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1847    7.6115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0744    7.6818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6144   10.4876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0092   11.9221    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  2  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  1  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
  8 28  1  1  0  0  0
  9 29  1  6  0  0  0
 14 30  1  6  0  0  0
 17 31  1  6  0  0  0
 20 32  1  1  0  0  0
M  END
> <LM_ID>
LMST04010201

> <COMMON_NAME>
Cholenic Acid

> <SYSTEMATIC_NAME>
3beta-Hydroxy-chol-5-en-24-oic Acid

> <FORMULA>
C24H38O3

> <MASS>
374.28

> <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>
HIAJCGFYHIANNA-QIZZZRFXSA-N

> <INCHI>
InChI=1S/C24H38O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h5,15,17-21,25H,4,6-14H2,1-3H3,(H,26,27)/t15-,17+,18+,19-,20+,21+,23+,24-/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCC(O)=O)CC[C@@]4([H])[C@]3([H])CC=C2C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0000308

> <CHEBI_ID>
89234

> <ABBREVIATION>
ST 24:2;O3

> <CAYMAN_ID>
29543

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
92997

> <LIPIDBANK_ID>
BBA0201

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
10116

> <CITATION>
6047622

$$$$