KEGG   COMPOUND: C08606
Entry
C08606                      Compound                               

Name
Neoxanthin;
all-trans-Neoxanthin
Formula
C40H56O4
Exact mass
600.4179
Mol weight
600.8702
Structure
Reaction
Pathway
map00906  Carotenoid biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00372  Abscisic acid biosynthesis, beta-carotene => abscisic acid
Enzyme
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0107 C40 isoprenoids (tetraterpenes)
    C08606  Neoxanthin
Phytochemical compounds [BR:br08003]
 Terpenoids
  Carotenoids and apocarotenoids
   Carotenoids
    C08606  Neoxanthin
Other DBs
CAS: 30743-41-0
PubChem: 10799
ChEBI: 25501 32446
LIPIDMAPS: LMPR01070290
LipidBank: VCA0059
KNApSAcK: C00003780
3DMET: B02260
NIKKAJI: J246.977D
LinkDB
KCF data

ATOM        44
            1   C1z C    12.3733  -18.8627
            2   C1z C    12.3733  -20.2666
            3   O2x O    13.5810  -19.5518
            4   C1z C    11.1568  -18.1567
            5   C2b C    13.5810  -18.1483
            6   C1x C    11.1568  -20.9642
            7   C1a C    13.5810  -20.9642
            8   C1x C     9.9403  -18.8627
            9   C2b C    14.7806  -18.8457
            10  C1y C     9.9403  -20.2666
            11  C2c C    15.9971  -18.1396
            12  O1a O     8.7239  -20.9556
            13  C2b C    17.2052  -18.8373
            14  C1a C    16.0587  -16.7446
            15  C2b C    18.4216  -18.1396
            16  C2b C    19.6297  -18.8373
            17  C2c C    20.8376  -18.1312
            18  C2b C    22.0541  -18.8286
            19  C1a C    20.8376  -16.7276
            20  C2b C    23.2622  -18.1226
            21  C2b C    24.4699  -18.8203
            22  C2b C    25.6864  -18.1142
            23  C2c C    26.8946  -18.8116
            24  C2b C    28.1024  -18.1057
            25  C2b C    29.3188  -18.8032
            26  C2b C    30.5269  -18.0973
            27  C2c C    31.7433  -18.7946
            28  C2b C    32.9515  -18.0887
            29  C1a C    31.7349  -20.1985
            30  C0  C    34.1524  -18.7736
            31  C2y C    35.3592  -19.4877
            32  C1z C    35.3592  -20.8882
            33  C1x C    36.5721  -21.5885
            34  C1y C    37.7850  -20.8882
            35  C1x C    37.7850  -19.4877
            36  C1z C    36.5721  -18.7873
            37  C1a C    37.5534  -17.8070
            38  O1a O    38.9992  -21.5893
            39  O1a O    35.5927  -17.8070
            40  C1a C    26.8984  -20.2264
            41  C1a C    12.1467  -17.1668
            42  C1a C    10.1669  -17.1668
            43  C1a C    34.0069  -21.2505
            44  C1a C    34.9969  -22.2405
BOND        46
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1 #Up
            7     4   8 1
            8     5   9 2
            9     6  10 1
            10    9  11 1
            11   10  12 1 #Up
            12   11  13 2
            13   11  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   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   27  29 1
            29    2   3 1 #Down
            30    8  10 1
            31   28  30 2
            32   30  31 2
            33   31  32 1
            34   32  33 1
            35   33  34 1
            36   34  35 1
            37   35  36 1
            38   31  36 1
            39   36  37 1 #Up
            40   34  38 1 #Up
            41   36  39 1 #Down
            42   23  40 1
            43    4  41 1
            44    4  42 1
            45   32  43 1
            46   32  44 1

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