LMST05020021
  LIPID_MAPS_STRUCTURE_DATABASE

 31 34  0     0  0            999 V2000
   12.9007    8.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8953   10.7614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0426   10.2642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0512    9.2798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7572   10.2740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7536    9.2888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4591    9.2827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4625   10.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6115   10.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8979    9.7577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7260   11.3230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7526    8.3313    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2038    8.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2038    7.8119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0512    7.3238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9007    7.8119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3617    9.2779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5196    8.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5196    7.8193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3617    7.3332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0512    8.3074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6149   11.7389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6775    7.3331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7051    7.3331    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.7051    8.3055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7051    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.3331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4591   12.2214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7747   12.2284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4537   11.2529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2038    9.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0     0  0
  1  6  1  0     0  0
  5  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  5  6  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9  5  1  0     0  0
  6  7  1  0     0  0
  1 10  1  1     0  0
  5 11  1  1     0  0
  6 12  1  6     0  0
  4 13  1  0     0  0
 13 14  1  0     0  0
 14 15  2  0     0  0
 15 16  1  0     0  0
 16  1  1  0     0  0
 13 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 20 14  1  0     0  0
  4 21  1  6     0  0
  9 22  1  1     0  0
 19 23  1  1     0  0
 23 24  1  0     0  0
 24 25  2  0     0  0
 24 26  2  0     0  0
 24 27  1  0     0  0
 22 28  1  0     0  0
 22 29  2  0     0  0
  9 30  1  6     0  0
 13 31  1  1     0  0
M  END
> <LM_ID>
LMST05020021

> <COMMON_NAME>
17-Hydroxypregnenolone sulfate

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H32O6S

> <MASS>
412.19

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroid conjugates [ST05]

> <SUB_CLASS>
Sulfates [ST0502]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OMOKWYAQVYBHMG-TVWVXWENSA-N

> <INCHI>
InChI=1S/C21H32O6S/c1-13(22)21(23)11-8-18-16-5-4-14-12-15(27-28(24,25)26)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23H,5-12H2,1-3H3,(H,24,25,26)/t15-,16+,17-,18-,19-,20-,21-/m0/s1

> <SMILES>
[C@]12(CC=C3C[C@@H](OS(O)(=O)=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@](O)(C(=O)C)CC[C@@]21[H])[H]

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0000416

> <CHEBI_ID>
89454

> <ABBREVIATION>
ST 21:2;O3;S

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
152971

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Sterol Lipids [ST]

> <ALT_MAIN_CLASSES>
Steroids [ST02]

> <ALT_SUB_CLASSES>
C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
262765

$$$$