KEGG   COMPOUND: C22348
Entry
C22348                      Compound                               
Name
Monoanhydrobacterioruberin;
2-(3-Hydroxy-3-methylbutyl)-2'-(3-methylbut-2-enyl)-3,4,3',4'-tetradehydro-1,2,1',2'-tetrahydro-psi,psi-carotene-1,1'-diol
Formula
C50H74O3
Exact mass
722.5638
Mol weight
723.12
Structure
Reaction
R12711 R12712
Pathway
map00906  Carotenoid biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Enzyme
4.2.1.161
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0108 Polyterpenes
    C22348  Monoanhydrobacterioruberin
Other DBs
PubChem: 497619708
LIPIDMAPS: LMPR01080029
LinkDB
KCF data

ATOM        53
            1   C1a C     4.8303  -16.3833
            2   C1d C     6.0206  -15.6832
            3   C1c C     7.2808  -16.3833
            4   C2b C     8.4711  -15.6832
            5   C2b C     9.6613  -16.3833
            6   C2c C    10.9215  -15.6832
            7   C2b C    12.1118  -16.3833
            8   C2b C    13.3020  -15.6832
            9   C2b C    14.5623  -16.3833
            10  C2c C    15.8225  -15.6832
            11  C2b C    16.9427  -16.3833
            12  C2b C    18.2030  -15.6832
            13  C2b C    19.3932  -16.3833
            14  C2c C    20.5836  -15.6832
            15  C2b C    21.7738  -16.3833
            16  C2b C    23.0340  -15.6832
            17  C2b C    24.2243  -16.3833
            18  C2b C    25.4145  -15.6832
            19  C2c C    26.6748  -16.3833
            20  C2b C    27.8650  -15.6832
            21  C2b C    29.0552  -16.3833
            22  C2b C    30.3155  -15.6832
            23  C2c C    31.5057  -16.3833
            24  C2b C    32.6959  -15.6832
            25  C2b C    33.9562  -16.3833
            26  C2b C    35.1464  -15.6832
            27  C2c C    36.3367  -16.3833
            28  C2b C    37.5969  -15.6832
            29  C2b C    38.7872  -16.3833
            30  C1c C    40.0474  -15.6832
            31  C1d C    41.3076  -16.3833
            32  C1a C    42.4979  -15.6832
            33  O1a O     6.0206  -14.3529
            34  C1a C    10.9215  -14.3529
            35  C1a C    15.8225  -14.3529
            36  C1a C    20.5836  -14.3529
            37  C1a C    26.6748  -17.7837
            38  C1a C    31.5057  -17.7837
            39  C1a C    36.3367  -17.7837
            40  C1b C     7.2808  -17.7837
            41  C1b C     6.0206  -18.4838
            42  C1d C     6.0206  -19.8841
            43  C1a C     4.8303  -20.5842
            44  C1a C     7.2108  -20.5842
            45  O1a O    41.3076  -17.9937
            46  C1a C     4.8303  -14.9830
            47  C1b C    40.0474  -14.3529
            48  C2b C    41.0276  -13.3027
            49  C2c C    41.0276  -11.9024
            50  C1a C    42.2178  -11.2023
            51  C1a C    39.7673  -11.1323
            52  C1a C    42.4979  -17.0835
            53  O1a O     6.0206  -21.2841
BOND        52
            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 2
            49   49  50 1
            50   49  51 1
            51   31  52 1
            52   42  53 1

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