KEGG   COMPOUND: C22072Help
Entry
C22072                      Compound                               

Name
2-[(L-Alanin-3-ylcarbamoyl)methyl]-2-hydroxybutanedioate
Formula
C9H14N2O8
Exact mass
278.075
Mol weight
278.2161
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00997  Biosynthesis of various secondary metabolites - part 3
map01100  Metabolic pathways
Module
M00875  Staphyloferrin B biosynthesis, L-serine => staphyloferrin B
Enzyme
4.1.1.117       6.3.2.54
Other DBs
PubChem: 384585131
KCF data Show

ATOM        19
            1   O6a O     7.7000  -13.3000
            2   C6a C     8.9124  -12.6000
            3   C1c C    10.1249  -13.3000
            4   C1b C    11.3373  -12.6000
            5   N1b N    12.5497  -13.3000
            6   C5a C    13.7622  -12.6000
            7   C1b C    14.9746  -13.3000
            8   C1d C    16.1870  -12.6000
            9   C1b C    17.3995  -13.3000
            10  C6a C    18.6119  -12.6000
            11  O6a O    19.8244  -13.3000
            12  O6a O     8.9124  -11.2002
            13  N1a N    10.1249  -14.6998
            14  O5a O    13.7622  -11.2703
            15  C6a C    16.1870  -10.9901
            16  O1a O    16.1870  -14.0000
            17  O6a O    14.9618  -10.2826
            18  O6a O    17.3867  -10.2974
            19  O6a O    18.6119  -11.2000
BOND        18
            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     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11    2  12 2
            12    3  13 1 #Down
            13    6  14 2
            14    8  15 1
            15    8  16 1
            16   15  17 1
            17   15  18 2
            18   10  19 2

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