LMST03020684
  LIPID_MAPS_STRUCTURE_DATABASE

 36 38  0  0  0  0  0  0  0  0999 V2000
   10.7183    8.9590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4332    9.3718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4332   10.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7183   10.6101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0034   10.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0034    9.3718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2184    9.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7036    9.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2184   10.4524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2184   11.2780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9304   11.6890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6453   11.2763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3602   11.6890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0752   11.2763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7183    8.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5063   11.6891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7901   11.6890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0752   10.4541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0034    7.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0034    6.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2884    6.4858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2884    5.6603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0034    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7183    5.6603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7183    6.4858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4332    8.5463    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5764    5.2492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7901   10.8635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8615    5.6619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1466    5.2492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4316    5.6619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167    5.2492    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2184   12.1035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4332   11.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9333   10.8652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4303    6.8969    0.0000 C   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
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  3  1  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
  1 15  2  0  0  0  0
 10 16  1  6  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
  2 26  1  6  0  0  0
 22 27  1  6  0  0  0
 14 28  1  0  0  0  0
 27 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
 10 33  1  1  0  0  0
  3 34  1  1  0  0  0
  9 35  1  6  0  0  0
 25 36  2  0  0  0  0
M  END
> <LM_ID>
LMST03020684

> <COMMON_NAME>
3'-O-Aminopropyl-25-hydroxyvitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(3S)-3-(3'-O-amino-propyl)-9,10-seco-5,7,10(19)-cholestatriene-3,25-triol

> <FORMULA>
C30H51NO2

> <MASS>
457.39

> <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>
191921

> <CAYMAN_ID>
23122

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12020395

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020684

$$$$