LMST03020010
  LIPID_MAPS_STRUCTURE_DATABASE

 27 29  0     0  0            999 V2000
    9.2699    6.8753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3785    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4869    6.8753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4869    7.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3785    8.4193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3785    9.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2387    9.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2387   10.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3785   11.4799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2699    7.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3785   12.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2387   12.9698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0987   12.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0987   11.4799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8193   11.4799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8193   12.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9591   12.9698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0987   13.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0243    8.3402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.4398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0987   10.7255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7134   13.4054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9591   13.9630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8192   14.4596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9591   14.9562    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9997   14.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6793   13.9630    0.0000 O   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
  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
  3 20  1  6  0  0  0
 14 21  1  6  0  0  0
 17 22  1  6  0  0  0
 17 23  1  0  0  0  0
 24 23  1  0  0  0  0
 23 25  1  1  0  0  0
 23 26  1  6  0  0  0
 24 27  1  0  0  0  0
M  END
> <LM_ID>
LMST03020010

> <COMMON_NAME>
22-hydroxy-23,24,25,26,27-pentanorvitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(3S)-23,24-dinor-9,10-seco-5,7,10(19)-cholatrien-3,22-diol

> <FORMULA>
C22H34O2

> <MASS>
330.26

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
22-hydroxy-23,24,25,26,27-pentanorcholecalciferol

> <INCHI_KEY>
WQIMVXZKIZUURX-GOYQYJLRSA-N

> <INCHI>
InChI=1S/C22H34O2/c1-15-6-9-19(24)13-18(15)8-7-17-5-4-12-22(3)20(16(2)14-23)10-11-21(17)22/h7-8,16,19-21,23-24H,1,4-6,9-14H2,2-3H3/b17-7+,18-8-/t16-,19+,20-,21+,22-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
173056

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547270

> <LIPIDBANK_ID>
VVD0011

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
8590938

$$$$