LMST05020041
  LIPID_MAPS_STRUCTURE_DATABASE

 31 34  0     0  0            999 V2000
   -3.0744    1.4136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9314    0.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9314   -0.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0744   -0.5654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2175   -0.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2175    0.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3607    1.4136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3607   -0.5654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5037   -0.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5037    0.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5037    2.8978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3607    2.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2942    2.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3532    2.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3532    1.4136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2942    1.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8758    1.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3607    0.4241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5037    1.9083    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3532    0.4241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3532    3.3925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5999    3.6499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7882   -0.5654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6451   -0.0706    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5727    0.3887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1858    0.8834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1752   -1.0248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5678    3.8556    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4142    4.9380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6999    2.8376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5236    4.1116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  7  6  1  0  0  0  0
  6  5  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
  7 10  1  0  0  0  0
 12  7  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 14 15  1  0  0  0  0
  7 18  1  6  0  0  0
 10 19  1  1  0  0  0
 15 20  1  6  0  0  0
 14 21  1  1  0  0  0
 13 22  1  1  0  0  0
  3 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 24 27  2  0  0  0  0
 22 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  2  0  0  0  0
 28 31  1  0  0  0  0
M  END
> <LM_ID>
LMST05020041

> <COMMON_NAME>
17-Beta-Estradiol-3,17-beta-sulfate

> <SYSTEMATIC_NAME>
estra-1,3,5(10)-triene-3,17beta-diol 3,17-disulfate

> <FORMULA>
C18H24O8S2

> <MASS>
432.09

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroid conjugates [ST05]

> <SUB_CLASS>
Sulfates [ST0502]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
HMDB0041620

> <YMDB_ID>
-

> <CHEBI_ID>
184771

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
66430

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST05020041

$$$$