KEGG   COMPOUND: C18054
Entry
C18054                      Compound                               
Name
2-Amino-2-deoxyisochorismate;
(2S)-2-Amino-4-deoxychorismate;
(2S,3S)-3-(1-Carboxyvinyloxy)-2,3-dihydroanthranilate
Formula
C10H11NO5
Exact mass
225.0637
Mol weight
225.198
Structure
Reaction
Pathway
map00405  Phenazine biosynthesis
map01059  Biosynthesis of enediyne antibiotics
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00826  C-1027 benzoxazolinate moiety biosynthesis, chorismate => benzoxazolinyl-CoA
M00835  Pyocyanine biosynthesis, chorismate => pyocyanine
Enzyme
1.3.8.16        2.6.1.86        2.6.1.123       3.3.2.15
Other DBs
PubChem: 96024274
ChEBI: 49197
PDB-CCD: QLI[PDBj]
NIKKAJI: J1.630.571E
LinkDB
KCF data

ATOM        16
            1   C1y C    24.8867  -24.8543
            2   C1y C    24.8867  -23.4418
            3   C2x C    23.6548  -25.5767
            4   O2a O    26.1697  -25.9079
            5   C2y C    23.6548  -22.7388
            6   C2x C    22.4357  -24.8543
            7   C2c C    27.3824  -25.2047
            8   C2x C    22.4357  -23.4418
            9   C6a C    23.6484  -21.3326
            10  C6a C    28.6014  -25.9014
            11  C2a C    27.3824  -23.8692
            12  O6a O    24.8674  -20.6360
            13  O6a O    22.4294  -20.6425
            14  O6a O    28.6014  -27.3074
            15  O6a O    29.6732  -25.2623
            16  N1a N    26.1183  -22.4461
BOND        16
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     3   6 2
            6     4   7 1
            7     5   8 2
            8     5   9 1
            9     7  10 1
            10    7  11 2
            11    9  12 1
            12    9  13 2
            13   10  14 1
            14   10  15 2
            15    6   8 1
            16    2  16 1 #Down

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