KEGG   COMPOUND: C22349
Entry
C22349                      Compound                               
Name
Bacterioruberin;
psi,psi-Carotene, 3,3',4,4'-tetradehydro-1,1',2,2'-tetrahydro-1,1'-dihydroxy-2,2'-bis(3-hydroxy-3-methylbutyl)-, (2S,2'S)-
Formula
C50H76O4
Exact mass
740.5744
Mol weight
741.136
Structure
Reaction
Pathway
map00906  Carotenoid biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Enzyme
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0108 Polyterpenes
    C22349  Bacterioruberin
Secondary metabolites in pathway maps [br08011.html]
 Biosynthetic pathways and modules of secondary metabolites
  C22349
Other DBs
CAS: 32719-43-0
LIPIDMAPS: LMPR01080032
KCF data

ATOM        54
            1   C1a C     1.7509  -16.3832
            2   C1d C     2.9412  -15.6830
            3   C1c C     4.2014  -16.3832
            4   C2b C     5.3916  -15.6830
            5   C2b C     6.5819  -16.3832
            6   C2c C     7.8421  -15.6830
            7   C2b C     9.0323  -16.3832
            8   C2b C    10.2226  -15.6830
            9   C2b C    11.4828  -16.3832
            10  C2c C    12.7431  -15.6830
            11  C2b C    13.8633  -16.3832
            12  C2b C    15.1235  -15.6830
            13  C2b C    16.3138  -16.3832
            14  C2c C    17.5040  -15.6830
            15  C2b C    18.6942  -16.3832
            16  C2b C    19.9545  -15.6830
            17  C2b C    21.1447  -16.3832
            18  C2b C    22.3349  -15.6830
            19  C2c C    23.5952  -16.3832
            20  C2b C    24.7854  -15.6830
            21  C2b C    25.9756  -16.3832
            22  C2b C    27.2359  -15.6830
            23  C2c C    28.4261  -16.3832
            24  C2b C    29.6163  -15.6830
            25  C2b C    30.8766  -16.3832
            26  C2b C    32.0668  -15.6830
            27  C2c C    33.2570  -16.3832
            28  C2b C    34.5173  -15.6830
            29  C2b C    35.7075  -16.3832
            30  C1c C    36.9678  -15.6830
            31  C1d C    38.2280  -16.3832
            32  C1a C    39.4182  -15.6830
            33  O1a O     2.9412  -14.3528
            34  C1a C     7.8421  -14.3528
            35  C1a C    12.7431  -14.3528
            36  C1a C    17.5040  -14.3528
            37  C1a C    23.5952  -17.7834
            38  C1a C    28.4261  -17.7834
            39  C1a C    33.2570  -17.7834
            40  C1b C     4.2014  -17.7834
            41  C1b C     2.9412  -18.4836
            42  C1d C     2.9412  -19.8839
            43  C1a C     1.7509  -20.5840
            44  C1a C     4.1314  -20.5840
            45  O1a O    38.2280  -17.9935
            46  C1a C     1.7509  -14.9829
            47  C1b C    36.9678  -14.3528
            48  C1b C    37.9479  -13.3026
            49  C1d C    37.9479  -11.9023
            50  C1a C    39.1382  -11.2022
            51  C1a C    36.6877  -11.1322
            52  C1a C    39.4182  -17.0833
            53  O1a O     2.9412  -21.2841
            54  O1a O    37.9479  -10.5023
BOND        53
            1     1   2 1
            2     2   3 1
            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   13  14 1
            14   14  15 2
            15   15  16 1
            16   16  17 2
            17   17  18 1
            18   18  19 2
            19   19  20 1
            20   20  21 2
            21   21  22 1
            22   22  23 2
            23   23  24 1
            24   24  25 2
            25   25  26 1
            26   26  27 2
            27   27  28 1
            28   28  29 2
            29   29  30 1
            30   30  31 1
            31   31  32 1
            32    2  33 1
            33    6  34 1
            34   10  35 1
            35   14  36 1
            36   19  37 1
            37   23  38 1
            38   27  39 1
            39    3  40 1 #Down
            40   40  41 1
            41   41  42 1
            42   42  43 1
            43   42  44 1
            44   31  45 1
            45    2  46 1
            46   30  47 1 #Down
            47   47  48 1
            48   48  49 1
            49   49  50 1
            50   49  51 1
            51   31  52 1
            52   42  53 1
            53   49  54 1

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