KEGG   COMPOUND: C14044
Entry
C14044                      Compound                               
Name
C25-Allenic-apo-aldehyde;
(3S,5R,6R)-3,5-Dihydroxy-6,7-didehydro-5,6-dihydro-12'-apo-beta-caroten-12'-al
Formula
C25H34O3
Exact mass
382.2508
Mol weight
382.5357
Structure
Reaction
Enzyme
Other DBs
PubChem: 854282
ChEBI: 34596
LIPIDMAPS: LMPR01070293
NIKKAJI: J882.239E
KCF data

ATOM        28
            1   C4a C    17.4300  -19.7400
            2   C2c C    18.6200  -19.0400
            3   C2b C    19.8100  -19.8100
            4   C2b C    21.0700  -19.1100
            5   C2b C    22.2600  -19.8800
            6   C2b C    23.4500  -19.1800
            7   C2c C    24.6400  -19.9500
            8   C2b C    25.9000  -19.2500
            9   C2b C    27.0900  -20.0200
            10  C2b C    28.3500  -19.3900
            11  C2c C    29.5400  -20.0900
            12  C2b C    30.7300  -19.4600
            13  C0  C    31.9200  -20.1600
            14  C1a C    18.6200  -17.6400
            15  C1a C    24.6400  -21.3500
            16  C1a C    29.5400  -21.4900
            17  C2y C    33.1100  -20.9300
            18  C1z C    34.3700  -20.2300
            19  C1x C    35.4900  -21.0000
            20  C1y C    35.4900  -22.4000
            21  C1x C    34.2300  -23.0300
            22  C1z C    33.1100  -22.3300
            23  O1a O    36.6800  -23.1000
            24  C1a C    31.7100  -22.5400
            25  C1a C    35.3500  -19.2500
            26  C1a C    32.3400  -23.7300
            27  O1a O    34.0200  -18.9000
            28  O4a O    16.2400  -18.9700
BOND        28
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     6   7 2
            7     7   8 1
            8     8   9 2
            9     9  10 1
            10   10  11 2
            11   11  12 1
            12   12  13 2
            13    2  14 1
            14    7  15 1
            15   11  16 1
            16   13  17 2
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   17  22 1
            23   20  23 1 #Up
            24   22  24 1 #Up
            25   18  25 1 #Up
            26   22  26 1 #Down
            27   18  27 1 #Down
            28    1  28 2

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