KEGG   COMPOUND: C21797
Entry
C21797                      Compound                               

Name
all-trans-3,4-Didehydroretinol;
Vitamin A2
Formula
C20H28O
Exact mass
284.214
Mol weight
284.4357
Structure
Reaction
Pathway
map00830  Retinol metabolism
Enzyme
Other DBs
CAS: 79-80-1
ChEMBL: CHEMBL1797132
LinkDB
KCF data

ATOM        21
            1   C1x C    11.3965  -16.1509
            2   C2x C    11.3965  -17.5492
            3   C2x C    12.6551  -18.2484
            4   C2y C    13.8437  -17.5492
            5   C2y C    13.8437  -16.1509
            6   C1z C    12.6551  -15.4518
            7   C1a C    15.1022  -18.2484
            8   C2b C    16.2907  -16.1509
            9   C2b C    15.1022  -15.4518
            10  C2c C    17.4793  -15.4518
            11  C2b C    18.6679  -16.1509
            12  C1a C    13.8437  -14.7526
            13  C1a C    11.3965  -14.7526
            14  C2b C    19.8565  -15.4518
            15  C1a C    17.4793  -14.0534
            16  C2b C    21.0451  -16.1509
            17  C2c C    22.3037  -15.4518
            18  C2b C    23.4923  -16.1509
            19  C1b C    24.6808  -15.4518
            20  O1a O    25.8694  -16.1509
            21  C1a C    22.3037  -14.0534
BOND        21
            1     1   2 1
            2     2   3 2
            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

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