LMST03020681
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0  0  0  0  0  0  0  0999 V2000
    6.2665    6.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2665    5.6603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9815    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6965    5.6603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6965    6.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9815    6.8987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9815    7.7210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6965    8.1338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6965    8.9560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4115    9.3688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4115   10.1944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6965   10.6072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9815   10.1944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9815    9.3688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1967    9.1137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6819    9.7816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1967   10.4495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1967   11.2751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9116   11.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6266   11.2751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.2492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4086    6.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3416   11.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4846   11.6863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4086    5.2492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4115   11.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3416   12.5135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0537   11.2768    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0537   10.4512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7687   10.0384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4837   10.4512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4837   11.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7687   11.6896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9116   10.8623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4115    8.5432    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1967   12.1007    0.0000 H   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  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 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  9  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 11  1  0  0  0  0
  5 22  2  0  0  0  0
 19 20  1  0  0  0  0
 20 23  1  0  0  0  0
 18 24  1  1  0  0  0
  2 21  1  6  0  0  0
  4 25  1  1  0  0  0
 11 26  1  1  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 23 27  2  0  0  0  0
 23 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 28  1  0  0  0  0
 17 34  1  6  0  0  0
 10 35  1  6  0  0  0
 18 36  1  6  0  0  0
M  END
> <LM_ID>
LMST03020681

> <COMMON_NAME>
Ecalcidene

> <SYSTEMATIC_NAME>
(5Z,7E)-(1S,3R)-24-oxo-25-aza-26,27-propano-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol

> <FORMULA>
C29H45NO3

> <MASS>
455.34

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
137136

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9955662

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020681

$$$$