KEGG   COMPOUND: C00885Help
Entry
C00885                      Compound                               

Name
Isochorismate;
Isochorismic acid
Formula
C10H10O6
Exact mass
226.0477
Mol weight
226.1828
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00130  Ubiquinone and other terpenoid-quinone biosynthesis
map01053  Biosynthesis of siderophore group nonribosomal peptides
map01061  Biosynthesis of phenylpropanoids
map01070  Biosynthesis of plant hormones
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map01130  Biosynthesis of antibiotics
Module
M00116  Menaquinone biosynthesis, chorismate => menaquinone
Enzyme
2.2.1.9         3.3.2.1         4.2.99.21       5.4.4.2
Other DBs
CAS: 22642-82-6
PubChem: 4141
ChEBI: 17582 29780
KNApSAcK: C00000734
PDB-CCD: ISC[PDBj]
3DMET: B01348
NIKKAJI: J389.211E
LinkDB All DBs
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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