LMST03020675
  LIPID_MAPS_STRUCTURE_DATABASE

 38 40  0  0  0  0  0  0  0  0999 V2000
    7.6943    7.7185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6943    6.8948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4076    6.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1210    6.8948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1210    7.7185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4076    8.1303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4076    8.9506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1210    9.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1210   10.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8343   10.5946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8343   11.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1210   11.8301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4076   11.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4076   10.5946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6176   10.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1017   11.0065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6176   11.6728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6176   12.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3309   12.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0442   12.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9839    6.4847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8314    8.1287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8343    9.7710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4132   11.8860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5100   12.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2233   12.8315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7575   12.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9072   12.9067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8314    6.4847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5100   11.5960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2233   12.0078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4076    5.6593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6943    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9810    5.6593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2677    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.6593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8343   12.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6176   13.3202    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
 25 26  1  0  0  0  0
 20 27  1  0  0  0  0
 27 25  1  0  0  0  0
 18 28  1  6  0  0  0
 17 18  1  0  0  0  0
 25 30  1  0  0  0  0
 25 31  1  0  0  0  0
  4 29  1  1  0  0  0
  2 21  1  6  0  0  0
  3 32  1  1  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 11 37  1  1  0  0  0
 17 24  1  6  0  0  0
 10 23  1  6  0  0  0
 18 19  1  0  0  0  0
 18 38  1  1  0  0  0
M  END
> <LM_ID>
LMST03020675

> <COMMON_NAME>
1alpha,25-dihydroxy-2alpha-(3-hydroxypropoxy)vitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(1S,2S,3R)-2-(3-hydroxy-propoxy)-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol

> <FORMULA>
C30H50O5

> <MASS>
490.37

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FZEXGDDBXLBRTD-VCBASKJSSA-N

> <INCHI>
InChI=1S/C30H50O5/c1-20(9-6-15-29(3,4)34)24-13-14-25-22(10-7-16-30(24,25)5)11-12-23-19-26(32)28(27(33)21(23)2)35-18-8-17-31/h11-12,20,24-28,31-34H,2,6-10,13-19H2,1,3-5H3/b22-11+,23-12-/t20-,24-,25+,26-,27-,28+,30-/m1/s1

> <SMILES>
C1/C(=C/C=C2\CCC[C@]3(C)[C@@]([H])([C@@]([H])(CCCC(O)(C)C)C)CC[C@@]\23[H])/C(=C)[C@@H](O)[C@@H](OCCCO)[C@@H]1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
191276

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9891771

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$