LMST03020619
  LIPID_MAPS_STRUCTURE_DATABASE

 31 33  0  0  0  0  0  0  0  0999 V2000
    6.4298    8.9589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    9.3717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   10.1972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4298   10.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9298    9.1166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4150    9.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9298   10.4523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9298   11.2779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6419   11.6890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3568   11.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0717   11.6890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7867   11.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4298    8.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5016   11.6890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7867   10.4541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7149    7.7240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7149    6.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.4858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.6603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7149    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4298    5.6603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4298    6.4858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    8.5462    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   11.0228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2178   11.6890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7149   10.1972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7149    9.3717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6447   10.8651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1418    6.8968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5016   10.8635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9298   12.1034    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
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  3  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  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
  1 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  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
 22 17  1  0  0  0  0
  2 23  1  6  0  0  0
  3 24  1  1  0  0  0
  8 25  1  6  0  0  0
  4 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27  1  1  0  0  0  0
  7 28  1  6  0  0  0
 22 29  2  0  0  0  0
 12 30  1  0  0  0  0
  8 31  1  1  0  0  0
M  END
> <LM_ID>
LMST03020619

> <COMMON_NAME>
3-Deoxy-25-hydroxyvitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-9,10-seco-5,7,10(19)-cholestatrien-25-ol

> <FORMULA>
C27H44O

> <MASS>
384.34

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AGECEAALPZMKEA-JRQXVFDWSA-N

> <INCHI>
InChI=1S/C27H44O/c1-20-10-6-7-12-22(20)14-15-23-13-9-19-27(5)24(16-17-25(23)27)21(2)11-8-18-26(3,4)28/h14-15,21,24-25,28H,1,6-13,16-19H2,2-5H3/b22-14-,23-15+/t21-,24-,25+,27-/m1/s1

> <SMILES>
C1(/CCC[C@]2(C)[C@@]([H])([C@]([H])(C)CCCC(O)(C)C)CC[C@@]/12[H])=C/C=C1\C(=C)CCCC\1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
24779629

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$