LMST03020388
  LIPID_MAPS_STRUCTURE_DATABASE

 34 36  0  0  0  0  0  0  0  0999 V2000
    7.7997    5.7030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0108    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2220    5.7030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2220    6.6139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0108    7.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0108    8.0197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7721    8.4593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7721    9.3382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0108    9.7778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7997    6.6139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0108   10.6568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7721   11.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5333   10.6568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5333    9.7778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0558    9.7778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0558   10.6568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2946   11.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5333   11.3381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4673    6.9993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2946   11.7995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5788   11.9913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9036   12.1511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5126   11.7995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1216   12.1511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7304   11.7995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3395   12.1511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7304   11.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4673    5.3175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.3175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5126   11.1319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3980   11.4141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5333    9.1102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9622   11.4818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2946   12.4671    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  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
 17 20  1  0  0  0  0
 20 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 26  1  0  0  0  0
 25 27  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
 20 21  1  6  0  0  0
  1 28  1  1  0  0  0
  3 29  1  6  0  0  0
 23 30  1  6  0  0  0
 25 31  1  0  0  0  0
 14 32  1  6  0  0  0
 17 33  1  6  0  0  0
 20 34  1  1  0  0  0
M  END
> <LM_ID>
LMST03020388

> <COMMON_NAME>
(23R)-1alpha,23,25-trihydroxyvitamin D3 / (23R)-1alpha,23,25-trihydroxycholecalciferol

> <SYSTEMATIC_NAME>
(5Z,7E)-(1S,3R,23R)-9,10-seco-5,7,10(19)-cholestatriene-1,3,23,25-tetrol

> <FORMULA>
C27H44O4

> <MASS>
432.32

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NHRGJVVEKNHIIE-PTNHXQMASA-N

> <INCHI>
InChI=1S/C27H44O4/c1-17(13-22(29)16-26(3,4)31)23-10-11-24-19(7-6-12-27(23,24)5)8-9-20-14-21(28)15-25(30)18(20)2/h8-9,17,21-25,28-31H,2,6-7,10-16H2,1,3-5H3/b19-8+,20-9-/t17-,21-,22-,23-,24+,25+,27-/m1/s1

> <SMILES>
[C@@H]1(O)C(=C)/C(=C\C=C2\[C@]3([H])CC[C@@]([H])([C@@]3(C)CCC\2)[C@]([H])(C)C[C@@H](O)CC(O)(C)C)/C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283795

> <LIPIDBANK_ID>
VVD0472

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$