KEGG   COMPOUND: C20775Help
Entry
C20775                      Compound                               

Name
beta-Citryl-L-glutamate;
beta-Citrylglutamate
Formula
C11H15NO10
Exact mass
321.0696
Mol weight
321.2375
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00250  Alanine, aspartate and glutamate metabolism
map01100  Metabolic pathways
Enzyme
Other DBs
PubChem: 254741242
PDB-CCD: BC8[PDBj]
LinkDB All DBs
KCF data Show

ATOM        22
            1   O6a O    14.0435  -16.6362
            2   C6a C    15.2359  -15.9477
            3   C1b C    16.4284  -16.6362
            4   C1d C    17.6208  -15.9477
            5   C1b C    18.8132  -16.6362
            6   C6a C    20.0058  -15.9477
            7   O6a O    21.1982  -16.6362
            8   O6a O    15.2359  -14.5710
            9   O6a O    20.0058  -14.7088
            10  C5a C    17.6208  -14.5708
            11  N1b N    18.8153  -13.7435
            12  O5a O    16.4304  -13.7458
            13  O1a O    17.9773  -17.5531
            14  C1c C    18.8153  -12.3435
            15  C6a C    20.0490  -11.6315
            16  O6a O    21.2345  -12.3163
            17  O6a O    20.0495  -10.2203
            18  C1b C    17.6040  -11.6440
            19  C1b C    16.3576  -12.3200
            20  C6a C    15.1451  -11.6200
            21  O6a O    13.9327  -12.3200
            22  O6a O    15.1451  -10.2202
BOND        21
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     2   8 2
            8     6   9 2
            9     4  10 1
            10   10  11 1
            11   10  12 2
            12    4  13 1
            13   14  11 1 #Up
            14   14  15 1
            15   15  16 1
            16   15  17 2
            17   14  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   20  22 2

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