KEGG   COMPOUND: C05918
Entry
C05918                      Compound                               

Name
all-trans-Dehydroretinal;
Dehydroretinaldehyde;
Dehydroretinaldehyd;
(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-2,4,6,8-nonatetraenal;
alpha-Retinene;
3,4-Didehydroretinal;
3-Dehydroretinal;
all-trans-3-Dehydroretinal;
3-Dehydroretinaldehyde;
all-trans-3,4-Dehydroretinal;
Dehydroretinal;
Retinene 2;
trans-3-Dehydroretinal;
Vitamin A2 aldehyde
Formula
C20H26O
Exact mass
282.1984
Mol weight
282.4198
Structure
Reaction
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0109 Retinoids
    C05918  all-trans-Dehydroretinal
Other DBs
CAS: 472-87-7
PubChem: 8206
ChEBI: 28537
LIPIDMAPS: LMPR01090006
LipidBank: VVA0013
3DMET: B00875
NIKKAJI: J12.671C
LinkDB
KCF data

ATOM        21
            1   C2y C    18.9292  -14.5823
            2   C1z C    17.7092  -13.8788
            3   C2y C    18.9292  -15.9897
            4   C2b C    20.1299  -13.8723
            5   C1x C    16.4956  -14.5823
            6   C1a C    16.4890  -13.0417
            7   C1a C    18.9097  -13.0288
            8   C2x C    17.7092  -16.6868
            9   C1a C    20.1299  -16.6868
            10  C2b C    21.3433  -14.5565
            11  C2x C    16.4956  -15.9897
            12  C2c C    22.5440  -13.8464
            13  C2b C    23.7640  -14.5372
            14  C1a C    22.5376  -12.4458
            15  C2b C    24.9646  -13.8272
            16  C2b C    26.1848  -14.5114
            17  C2c C    27.3919  -13.8013
            18  C2b C    28.5989  -14.5050
            19  C1a C    27.3853  -12.4005
            20  C4a C    29.8060  -13.7948
            21  O4a O    31.0196  -14.4984
BOND        21
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 2
            10    5  11 1
            11   10  12 1
            12   12  13 2
            13   12  14 1
            14   13  15 1
            15   15  16 2
            16   16  17 1
            17   17  18 2
            18   17  19 1
            19   18  20 1
            20   20  21 2
            21    8  11 2

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