KEGG   COMPOUND: C16683Help
Entry
C16683                      Compound                               

Name
4-Oxoretinol
Formula
C20H28O2
Exact mass
300.2089
Mol weight
300.4351
Structure
Mol fileKCF fileDB search
Pathway
map00830  Retinol metabolism
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0109 Retinoids
    C16683  4-Oxoretinol
BRITE hierarchy
Other DBs
CAS: 62702-55-0
PubChem: 51091006
ChEBI: 44597
PDB-CCD: OXR[PDBj]
NIKKAJI: J648.935D
KCF data Show

ATOM        22
            1   C1x C    23.8855  -21.4213
            2   C1x C    23.8855  -22.8302
            3   C5x C    25.1056  -23.5346
            4   C2y C    26.3257  -22.8302
            5   C2y C    26.3257  -21.4213
            6   C1z C    25.1056  -20.7169
            7   C1a C    27.5458  -23.5346
            8   C2b C    28.7659  -21.4213
            9   C2b C    27.5458  -20.7169
            10  C2c C    29.9711  -20.7254
            11  C2b C    31.1669  -21.4158
            12  C1a C    26.1857  -19.8024
            13  C1a C    24.0255  -19.8724
            14  C2b C    32.3653  -20.7238
            15  C1a C    29.9712  -19.3084
            16  C2b C    33.5624  -21.4150
            17  C2c C    34.7600  -20.7234
            18  C2b C    35.9577  -21.4148
            19  C1b C    37.1551  -20.7232
            20  O1a O    38.3528  -21.4148
            21  C1a C    34.7601  -19.3083
            22  O5x O    25.1059  -24.9198
BOND        22
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     8   9 2
            9     5   9 1
            10    8  10 1
            11   10  11 2
            12    6  12 1
            13    6  13 1
            14   11  14 1
            15   10  15 1
            16   14  16 2
            17   16  17 1
            18   17  18 2
            19   18  19 1
            20   19  20 1
            21   17  21 1
            22    3  22 2

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