KEGG   COMPOUND: C23100
Entry
C23100                      Compound                               
Name
Alanyl-O-citryl-aminoehanol
Formula
C11H18N2O8
Exact mass
306.1063
Mol weight
306.27
Structure
Reaction
R13583 R13584
Pathway
map00975  Biosynthesis of various siderophores
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M01059  Vibrioferrin biosynthesis, serine + citrate => vibrioferrin
Enzyme
6.3.2.-
Other DBs
PubChem: 520621142
LinkDB
KCF data

ATOM        21
            1   O7a O    20.5100  -16.3100
            2   C7a C    21.7000  -15.6100
            3   C1b C    22.8900  -16.3100
            4   C1d C    24.0800  -15.6100
            5   C1b C    25.2000  -16.3100
            6   C6a C    26.3900  -15.6100
            7   O6a O    27.5800  -16.3100
            8   O6a O    21.7000  -14.2100
            9   O6a O    26.3900  -14.3500
            10  C6a C    24.0800  -14.2100
            11  O6a O    25.2000  -13.3700
            12  O6a O    22.8900  -13.3700
            13  O1a O    24.4300  -17.2200
            14  C1b C    19.3200  -15.6100
            15  C1b C    18.0600  -16.3100
            16  N1b N    16.8700  -15.6100
            17  C5a C    15.6800  -16.3100
            18  C1c C    14.4200  -15.6100
            19  N1a N    13.3000  -16.3100
            20  O5a O    15.6800  -17.7100
            21  C1a C    14.4200  -14.2100
BOND        20
            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 #Down
            13    1  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   17  20 2
            20   18  21 1

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