KEGG   COMPOUND: C17758
Entry
C17758                      Compound                               
Name
4,5-seco-Dopa
Formula
C9H11NO6
Exact mass
229.0586
Mol weight
229.1867
Structure
Reaction
R08836 R08837
Pathway
map00965  Betalain biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00961  Betacyanin biosynthesis, L-tyrosine => amaranthin
Enzyme
1.13.11.-
Other DBs
PubChem: 96024085
ChEBI: 16098
NIKKAJI: J2.751.701C
KCF data

ATOM        16
            1   C2c C    19.6700  -16.5200
            2   C2b C    20.8824  -17.2200
            3   C2b C    18.4576  -17.2200
            4   C2c C    18.4576  -18.6200
            5   O1a O    17.2621  -19.3104
            6   C6a C    19.6867  -19.3298
            7   O6a O    20.8991  -20.0298
            8   C4a C    20.8824  -18.6200
            9   O4a O    22.0948  -19.3200
            10  C1b C    19.6700  -15.1200
            11  C1c C    20.8824  -14.4200
            12  C6a C    20.8824  -13.0200
            13  O6a O    22.0779  -12.3296
            14  O6a O    19.6533  -12.3102
            15  N1a N    22.0948  -15.1200
            16  O6a O    18.6968  -20.3197
BOND        15
            1     1   2 2
            2     1   3 1
            3     3   4 2
            4     4   5 1
            5     4   6 1
            6     6   7 2
            7     2   8 1
            8     8   9 2
            9     1  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   12  14 2
            14   11  15 1 #Up
            15    6  16 1

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  All links  
Pathway (4)   
   KEGG PATHWAY (3)   
   KEGG MODULE (1)   
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (1)   
Chemical reaction (2)   
   KEGG REACTION (2)   
Gene (3573)   
   KEGG GENES (3573)   
All databases (3582)   

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