KEGG   COMPOUND: C22074Help
Entry
C22074                      Compound                               

Name
2-[(L-Alanin-3-ylcarbamoyl)methyl]-3-(2-aminoethylcarbamoyl)-2-hydroxypropanoate
Formula
C11H20N4O7
Exact mass
320.1332
Mol weight
320.2991
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
6.3.2.55        6.3.2.56
Other DBs
PubChem: 384585133
KCF data Show

ATOM        22
            1   N1a N    14.4360  -16.2519
            2   C1b C    15.6213  -16.9491
            3   C1b C    16.8066  -16.2519
            4   N1b N    18.0616  -16.9491
            5   C5a C    19.2468  -16.2519
            6   C1b C    20.4321  -16.9491
            7   C1d C    21.6871  -16.2519
            8   C1b C    22.8724  -16.9491
            9   C5a C    24.0576  -16.2519
            10  N1b N    25.2429  -16.9491
            11  C1b C    26.4979  -16.2519
            12  C1c C    27.6832  -16.9491
            13  C6a C    28.8685  -16.2519
            14  O6a O    30.1234  -16.9491
            15  O5a O    19.2468  -14.9271
            16  C6a C    21.6871  -14.7180
            17  O6a O    22.8724  -14.0208
            18  O6a O    20.5018  -14.0208
            19  O1a O    21.6871  -17.8555
            20  O5a O    24.0576  -14.9271
            21  N1a N    27.6832  -18.3435
            22  O6a O    28.8685  -14.8574
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     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14    5  15 2
            15    7  16 1
            16   16  17 2
            17   16  18 1
            18    7  19 1
            19    9  20 2
            20   12  21 1 #Up
            21   13  22 2

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