LMST02030161
  LIPID_MAPS_STRUCTURE_DATABASE

 27 30  0  0  0  0  0  0  0  0999 V2000
    8.7655    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0509    5.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3365    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6220    5.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9075    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6220    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3365    6.4850    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7655    8.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7495    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2646    6.6426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0509    6.8975    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0509    6.0725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4799    6.8975    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4799    6.0725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7655    6.4850    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7655    7.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4799    7.7225    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2646    7.9775    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9075    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0509    7.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2646    8.8025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5501    9.2150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9791    8.3900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3365    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4799    8.5475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9791    9.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 15  1  1  0  0  0  0
 15 11  1  0  0  0  0
 15 13  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  4 19  1  0  0  0  0
 19  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
 11 21  1  0  0  0  0
 21  8  1  0  0  0  0
  8 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 13  1  0  0  0  0
 18  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  6  0  0  0
 13 14  1  6  0  0  0
 15 16  1  1  0  0  0
 18 24  1  6  0  0  0
 18 22  1  0  0  0  0
 19 20  2  0  0  0  0
 22 23  2  0  0  0  0
  7 25  1  1  0  0  0
 17 26  1  1  0  0  0
 22 27  1  0  0  0  0
M  END
> <LM_ID>
LMST02030161

> <COMMON_NAME>
17alpha-hydroxyprogesterone

> <SYSTEMATIC_NAME>
17-hydroxypregn-4-ene-3,20-dione

> <FORMULA>
C21H30O3

> <MASS>
330.22

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroids [ST02]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
17-hydroxyprogesterone; 17alpha-Hydroxy-4-pregnene-3,20-dione; 17alpha-Hydroxy-progesterone; 17alpha-Hydroxyprogesterone; Pregn-4-ene-3,20-dione-17-ol; hydroxyprogesterone

> <INCHI_KEY>
DBPWSSGDRRHUNT-CEGNMAFCSA-N

> <INCHI>
InChI=1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1

> <SMILES>
C1CC2[C@@](C)([C@@]3([H])CC[C@@]4(C)[C@@]([H])(CC[C@@]4(C(C)=O)O)[C@]13[H])CCC(=O)C=2

> <KEGG_ID>
C01176

> <HMDB_ID>
HMDB0000374

> <CHEBI_ID>
17252

> <ABBREVIATION>
ST 21:3;O3

> <CAYMAN_ID>
33154

> <SWISSLIPIDS_ID>
SLM:000485347

> <PUBCHEM_COMPOUND_ID>
6238

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$