KEGG   COMPOUND: C23085
Entry
C23085                      Compound                               
Name
Diaminobutyryl-citryl-ethanolamine
Formula
C12H21N3O8
Exact mass
335.1329
Mol weight
335.31
Structure
Reaction
R13578 R13579 R13581
Pathway
map00975  Biosynthesis of various siderophores
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M01058  Achromobactin biosynthesis, serine + citrate => achromobactin
Enzyme
6.3.2.-
Other DBs
PubChem: 520621127
LinkDB
KCF data

ATOM        23
            1   O7a O    15.0812  -17.0403
            2   C7a C    16.2733  -16.3390
            3   C1b C    17.4654  -17.0403
            4   C1d C    18.6575  -16.3390
            5   C1b C    19.7796  -17.0403
            6   C5a C    20.9717  -16.3390
            7   N1b N    22.1638  -17.0403
            8   O6a O    16.2733  -14.9365
            9   O5a O    20.9717  -15.0768
            10  C6a C    18.6575  -14.9365
            11  O6a O    19.7796  -14.0951
            12  O6a O    17.4654  -14.0951
            13  O1a O    19.0082  -17.9519
            14  C1b C    13.8890  -16.3390
            15  C1b C    12.6268  -17.0403
            16  N1a N    11.4347  -16.3390
            17  C1b C    23.3453  -16.3181
            18  C1b C    24.5584  -17.0185
            19  C1c C    25.7714  -16.3181
            20  N1a N    26.9844  -17.0185
            21  C6a C    25.7714  -14.9174
            22  O6a O    26.9865  -14.2159
            23  O6a O    24.5604  -14.2183
BOND        22
            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    1  14 1
            14   14  15 1
            15   15  16 1
            16    7  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   19  21 1
            21   21  22 1
            22   21  23 2

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