KEGG   COMPOUND: C04796
Entry
C04796                      Compound                               
Name
4-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde
Formula
C9H11NO6
Exact mass
229.0586
Mol weight
229.19
Structure
Reaction
R02075 R04598 R04599
Pathway
map00350  Tyrosine metabolism
Enzyme
1.13.11.29
Other DBs
PubChem: 7358
ChEBI: 16098
NIKKAJI: J2.751.701C
LinkDB
KCF data

ATOM        16
            1   C2c C    28.0264  -20.0155
            2   C1b C    29.2436  -19.3136
            3   C2b C    28.0264  -21.4067
            4   C2b C    26.8156  -19.3071
            5   C1c C    29.2436  -17.8965
            6   C2c C    29.2373  -22.1086
            7   C4a C    25.5983  -20.0026
            8   C6a C    30.3836  -17.0465
            9   N1a N    28.0972  -17.1367
            10  C6a C    30.4544  -21.4067
            11  O1a O    29.2373  -23.5063
            12  O6a O    31.6653  -22.1086
            13  O6a O    30.4544  -20.0726
            14  O6a O    31.6784  -17.6037
            15  O6a O    30.3637  -15.6888
            16  O4a O    24.4128  -19.3111
BOND        15
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     3   6 2
            6     4   7 1
            7     5   8 1
            8     5   9 1 #Down
            9     6  10 1
            10    6  11 1
            11   10  12 1
            12   10  13 2
            13    8  14 1
            14    8  15 2
            15    7  16 2

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