LMST02030167
  LIPID_MAPS_STRUCTURE_DATABASE

 27 30  0  0  0  0  0  0  0  0999 V2000
    6.9833    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2688    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2688    5.6600    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9833    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6978    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1267    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    7.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1267    8.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8412    6.0725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    6.8975    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4123    6.0725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8412    8.5475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6978    6.4850    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6978    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1267    6.4850    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1267    7.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6258    7.9774    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8412    7.7225    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6258    6.6425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1107    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8412    6.8975    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8808    8.7620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3287    9.3751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6877    8.9336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2711    8.3502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 19  9  1  0  0  0  0
 22 16  1  0  0  0  0
 11  8  1  0  0  0  0
 11 14  1  0  0  0  0
 16 11  1  0  0  0  0
 16  7  1  0  0  0  0
 14  5  1  0  0  0  0
 14  1  1  0  0  0  0
  8  9  1  0  0  0  0
  6  7  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  3  2  1  0  0  0  0
  3 25  1  1  0  0  0
 22 10  1  6  0  0  0
 11 12  1  6  0  0  0
 19 13  1  1  0  0  0
 14 15  1  1  0  0  0
 16 17  1  1  0  0  0
 18 23  1  1  0  0  0
 19 18  1  0  0  0  0
 21 20  1  0  0  0  0
 18 21  1  0  0  0  0
 22 19  1  0  0  0  0
 22 20  1  0  0  0  0
 26 23  1  0  0  0  0
 24 23  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
> <LM_ID>
LMST02030167

> <COMMON_NAME>
21-hydroxypregnenolone

> <SYSTEMATIC_NAME>
3beta,21-dihydroxypregn-5-en-20-one

> <FORMULA>
C21H32O3

> <MASS>
332.24

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroids [ST02]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(3beta)-3,21-dihydroxypregn-5-en-20-one; 21-Hydroxypregnenolone

> <INCHI_KEY>
MOIQRAOBRXUWGN-WPWXJNKXSA-N

> <INCHI>
InChI=1S/C21H32O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h3,14-18,22-23H,4-12H2,1-2H3/t14-,15-,16-,17-,18+,20-,21-/m0/s1

> <SMILES>
C1C[C@H](O)CC2=CC[C@]3([H])[C@@]([H])([C@]21C)CC[C@]1([C@]3(CC[C@@H]1C(=O)CO)[H])C

> <KEGG_ID>
C05485

> <HMDB_ID>
HMDB0004026

> <CHEBI_ID>
28043

> <ABBREVIATION>
ST 21:2;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
247020

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$