LMST03020042
  LIPID_MAPS_STRUCTURE_DATABASE

 32 34  0     0  0            999 V2000
    8.0008    6.8739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1118    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2225    6.8739    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2225    7.9006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1118    8.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1118    9.4851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9698    9.9805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9698   10.9711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1118   11.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0008    7.9006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1118   12.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9698   12.9527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8276   12.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8276   11.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5436   11.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5436   12.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6857   12.9527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8276   13.2251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7533    8.3350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8276   10.7142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4382   13.3871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6857   13.9434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5436   14.4387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6857   14.9341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7288   14.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4016   13.9434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2595   14.4387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1174   13.9434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9753   14.4387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1174   12.9527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8588    6.3787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9753   13.4480    0.0000 O   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  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  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
  1 10  1  0  0  0  0
  5 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  2  0  0  0  0
 14 20  1  6  0  0  0
 17 21  1  6  0  0  0
 17 22  1  0  0  0  0
 23 22  1  0  0  0  0
 22 24  1  1  0  0  0
 22 25  1  6  0  0  0
 26 23  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 28 30  1  0  0  0  0
  1 31  1  6  0  0  0
 28 32  1  0  0  0  0
M  END
> <LM_ID>
LMST03020042

> <COMMON_NAME>
1beta,25-dihydroxy-3-deoxy-3-thiavitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(1S)-9,10-seco-3-thia-5,7,10(19)-cholestatriene-1,25-diol

> <FORMULA>
C26H42O2S

> <MASS>
418.29

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
1beta,25-dihydroxy-3-deoxy-3-thiacholecalciferol

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547301

> <LIPIDBANK_ID>
VVD0044

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020042

$$$$