KEGG   COMPOUND: C08606Help
Entry
C08606                      Compound                               

Name
Neoxanthin;
all-trans-Neoxanthin
Formula
C40H56O4
Exact mass
600.4179
Mol weight
600.8702
Structure
Mol fileKCF fileDB search
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
BRITE hierarchy
Other DBs
CAS: 30743-41-0
PubChem: 10799
ChEBI: 25501 32446
LIPIDMAPS: LMPR01070290
LipidBank: VCA0059
KNApSAcK: C00003780
3DMET: B02260
NIKKAJI: J246.977D
KCF data Show

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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