KEGG   COMPOUND: C00885Help
Entry
C00885                      Compound                               

Name
Isochorismate;
Isochorismic acid
Formula
C10H10O6
Exact mass
226.0477
Mol weight
226.1828
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Ubiquinone and other terpenoid-quinone biosynthesis
Biosynthesis of siderophore group nonribosomal peptides
Biosynthesis of phenylpropanoids
Biosynthesis of plant hormones
Metabolic pathways
Biosynthesis of secondary metabolites
Enzyme
2.2.1.9         3.3.2.1         4.2.99.21       5.4.4.2
Other DBs
CAS: 
22642-82-6
PubChem: 
ChEBI: 
KNApSAcK: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        16
            1   C1y C    27.4859  -18.3114
            2   C1y C    27.4859  -16.9035
            3   C2x C    26.2635  -19.0217
            4   C2y C    26.2635  -16.2058
            5   O1a O    28.6891  -16.2058
            6   C2x C    25.0604  -18.3114
            7   C2x C    25.0604  -16.9035
            8   C6a C    26.2571  -15.0265
            9   O6a O    27.4668  -14.3291
            10  O6a O    25.0476  -14.3353
            11  O2a O    28.7299  -19.0269
            12  C2c C    29.9131  -18.3411
            13  C6a C    31.1088  -19.0289
            14  O6a O    32.2937  -18.3422
            15  O6a O    31.1113  -20.4397
            16  C2a C    29.9108  -17.2202
BOND        16
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 1 #Down
            5     3   6 2
            6     4   7 2
            7     4   8 1
            8     8   9 1
            9     8  10 2
            10    6   7 1
            11    1  11 1 #Up
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   13  15 2
            16   12  16 2

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