LMST03030005
  LIPID_MAPS_STRUCTURE_DATABASE

 32 34  0  0  0  0  0  0  0  0999 V2000
    7.6957    5.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9735    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2512    5.6645    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2512    6.4985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9735    6.9155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2824    8.2081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2824    9.0128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5854    9.4153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6957    6.4985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5854   10.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2824   10.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9793   10.2200    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9793    9.4153    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3732    9.4153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3732   10.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6763   10.6224    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6763   11.2662    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3732   11.6686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0701   11.2662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7670   11.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4638   11.2661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4638   10.4614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1608   11.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.2622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3926    6.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9793    8.6105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9793   11.0247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3732   11.0248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6763   12.0709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8990   11.4745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1608   10.8638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9793    7.8058    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
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8 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 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  1  9  1  0  0  0  0
  5  9  1  0  0  0  0
  7 13  1  0  0  0  0
 12 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
  3 24  1  1  0  0  0
  9 25  2  0  0  0  0
 13 26  1  6  0  0  0
 12 27  1  1  0  0  0
 16 28  1  6  0  0  0
 17 29  1  1  0  0  0
 17 30  1  6  0  0  0
 21 31  1  0  0  0  0
  6 32  1  0  0  0  0
  5 32  2  0  0  0  0
M  END
> <LM_ID>
LMST03030005

> <COMMON_NAME>
3-epi-5,6-trans-25-Hydroxyvitamin D3

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

> <FORMULA>
C27H44O2

> <MASS>
400.33

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D4 and derivatives [ST0303]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JWUBBDSIWDLEOM-BQDJEZORSA-N

> <INCHI>
InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11-,22-12+/t20-,23-,24-,25+,27-/m1/s1

> <SMILES>
C1C(=C)/C(=C/C=C2\[C@]3([H])CC[C@@]([H])([C@@]3(C)CCC\2)[C@@](C)([H])CCCC(O)(C)C)/C[C@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB06721

> <CHEBI_ID>
166757

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44263352

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$