KEGG   COMPOUND: C20962
Entry
C20962                      Compound                               

Name
Dapdiamide A;
3-{[(2E)-4-Amino-4-oxobut-2-enoyl]amino}-L-alanyl-L-valine
Formula
C12H20N4O5
Exact mass
300.1434
Mol weight
300.311
Structure
Reaction
Pathway
map00997  Biosynthesis of various secondary metabolites - part 3
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00904  Dapdiamides biosynthesis, L-2,3-diaminopropanoate => dapdiamide A/B/C
Enzyme
Other DBs
PubChem: 254741423
KCF data

ATOM        21
            1   N1a N    13.1802  -16.5169
            2   C5a C    14.3924  -15.8171
            3   C2b C    15.6046  -16.5169
            4   C2b C    16.8167  -15.8171
            5   C5a C    18.0289  -16.5169
            6   N1b N    19.2411  -15.8171
            7   O5a O    14.3924  -14.4176
            8   O5a O    18.0289  -17.9163
            9   C1b C    20.4586  -16.5169
            10  C1c C    21.6708  -15.8171
            11  C5a C    22.8830  -16.5169
            12  N1b N    24.0951  -15.8171
            13  N1a N    21.6708  -14.4176
            14  O5a O    22.8830  -17.9166
            15  C1c C    25.2924  -16.5200
            16  C6a C    26.5049  -15.8200
            17  O6a O    27.7173  -16.5200
            18  C1c C    25.2873  -17.9199
            19  C1a C    24.0593  -18.6230
            20  C1a C    26.4843  -18.6168
            21  O6a O    26.5049  -14.4202
BOND        20
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     2   7 2
            7     5   8 2
            8     6   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   10  13 1 #Down
            13   11  14 2
            14   12  15 1
            15   15  16 1
            16   16  17 1
            17   15  18 1 #Down
            18   18  19 1
            19   18  20 1
            20   16  21 2

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