LMST04030004
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0  0  0  0  0  0  0  0999 V2000
    6.9205    7.2313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1267    6.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1267    5.8564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9205    5.3980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7143    5.8564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5080    5.3980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3019    5.8564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3019    6.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5080    7.2313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7143    6.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5080    8.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3019    8.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0955    8.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0955    7.2313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6832    7.2313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6832    8.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8894    8.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0955    8.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7143    7.4147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8894    9.3394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1430    9.5393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5244    9.7060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1594    9.3394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7944    9.7060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4293    9.3394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0644    9.7060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4293    8.7204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4034    8.9029    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8894   10.1212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7143    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.2285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5590    5.5287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8969    5.4262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3019    9.2916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5864    9.3597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3019    7.5521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4907    6.4604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0955    6.5201    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
  5 30  1  1  0  0  0
  2 31  1  1  0  0  0
  3 32  1  6  0  0  0
  7 33  1  6  0  0  0
 12 34  1  6  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>
LMST04030004

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5beta-Cholestane-2beta,3alpha,7alpha,12alpha,26-pentol

> <FORMULA>
C27H48O5

> <MASS>
452.35

> <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>
HULTZIXIJZAWNK-QNZXEWCPSA-N

> <INCHI>
InChI=1S/C27H48O5/c1-15(14-28)6-5-7-16(2)18-8-9-19-25-20(12-24(32)27(18,19)4)26(3)13-23(31)21(29)10-17(26)11-22(25)30/h15-25,28-32H,5-14H2,1-4H3/t15?,16-,17+,18-,19+,20+,21+,22-,23+,24+,25+,26+,27-/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])C[C@H](O)[C@]4(C)[C@@]([H])([C@]([H])(C)CCCC(C)CO)CC[C@@]4([H])[C@]3([H])[C@H](O)C[C@]2([H])C[C@H](O)[C@H]1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187771

> <ABBREVIATION>
ST 27:0;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5284183

> <LIPIDBANK_ID>
BBA0306

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$