KEGG   COMPOUND: C13431
Entry
C13431                      Compound                               

Name
9'-cis-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
1.13.11.51      5.3.99.9
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0107 C40 isoprenoids (tetraterpenes)
    C13431  9'-cis-Neoxanthin
Phytochemical compounds [BR:br08003]
 Terpenoids
  Carotenoids and apocarotenoids
   Carotenoids
    C13431  9'-cis-Neoxanthin
Other DBs
CAS: 14660-91-4
PubChem: 586173
ChEBI: 32446 35306
LIPIDMAPS: LMPR01070291
LipidBank: VCA0059
KNApSAcK: C00003780
PDB-CCD: NEX[PDBj]
3DMET: B05650
NIKKAJI: J246.977D
LinkDB
KCF data

ATOM        44
            1   C2c C    14.3141  -21.3714
            2   C2b C    14.3141  -19.9743
            3   C1a C    13.0567  -22.0699
            4   C2b C    13.0567  -19.3456
            5   C1z C    13.0567  -17.8787
            6   C1z C    14.2442  -17.1801
            7   O2x O    14.2442  -18.5772
            8   C1z C    11.8692  -17.2500
            9   C1x C    14.2442  -15.8529
            10  C1a C    15.5016  -17.8787
            11  C1x C    11.8692  -15.8529
            12  C1y C    13.0567  -15.1544
            13  O1a O    12.9868  -13.7573
            14  C2b C    15.5016  -22.0699
            15  C2b C    16.6891  -21.3714
            16  C2b C    17.9465  -22.0000
            17  C2c C    19.1340  -21.3015
            18  C2b C    20.3215  -22.0000
            19  C2b C    21.5789  -21.3015
            20  C2b C    22.7664  -22.0000
            21  C2b C    23.9539  -21.2317
            22  C2c C    25.2113  -21.9302
            23  C2b C    26.3988  -21.2317
            24  C2b C    27.5863  -21.9302
            25  C2b C    28.8437  -21.2317
            26  C2c C    30.0312  -21.9302
            27  C2b C    31.2187  -21.1618
            28  C0  C    32.4761  -21.8603
            29  C1a C    19.1340  -19.9044
            30  C1a C    25.2113  -23.3273
            31  C1a C    30.0312  -23.3273
            32  C2y C    33.6636  -22.5589
            33  C1z C    34.8511  -21.8603
            34  C1x C    36.1085  -22.5589
            35  C1y C    36.1085  -23.9560
            36  C1x C    34.9210  -24.6545
            37  C1z C    33.6636  -23.9560
            38  O1a O    37.2960  -24.5846
            39  C1a C    35.8291  -20.8125
            40  O1a O    34.5019  -20.4633
            41  C1a C    10.4692  -17.2500
            42  C1a C    11.5068  -18.6023
            43  C1a C    32.4512  -24.6560
            44  C1a C    33.6636  -25.3560
BOND        46
            1     1   2 1
            2     1   3 1
            3     2   4 2
            4     5   4 1
            5     5   6 1
            6     5   7 1 #Up
            7     5   8 1
            8     6   9 1
            9     6  10 1 #Down
            10    8  11 1
            11    9  12 1
            12   12  13 1 #Down
            13    6   7 1 #Up
            14   11  12 1
            15    1  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   24  25 1
            27   25  26 2
            28   26  27 1
            29   27  28 2
            30   17  29 1
            31   22  30 1
            32   26  31 1
            33   28  32 2
            34   32  33 1
            35   33  34 1
            36   34  35 1
            37   35  36 1
            38   36  37 1
            39   32  37 1
            40   35  38 1 #Up
            41   33  39 1 #Up
            42   33  40 1 #Down
            43    8  41 1
            44    8  42 1
            45   37  43 1
            46   37  44 1

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