KEGG   COMPOUND: C20964
Entry
C20964                      Compound                               

Name
Dapdiamide C;
3-{[(2E)-4-Amino-4-oxobut-2-enoyl]amino}-L-alanyl-L-leucine
Formula
C13H22N4O5
Exact mass
314.159
Mol weight
314.3376
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: 254741425
KCF data

ATOM        22
            1   N1a N    11.3658  -16.1740
            2   C5a C    12.5786  -15.4739
            3   C2b C    13.7913  -16.1740
            4   C2b C    15.0039  -15.4739
            5   C5a C    16.2166  -16.1740
            6   N1b N    17.4293  -15.4739
            7   O5a O    12.5786  -14.0738
            8   O5a O    16.2166  -17.5740
            9   C1b C    18.6474  -16.1740
            10  C1c C    19.8601  -15.4739
            11  C5a C    21.0728  -16.1740
            12  N1b N    22.2854  -15.4739
            13  N1a N    19.8601  -14.0738
            14  O5a O    21.0728  -17.5743
            15  C1c C    23.4832  -16.1771
            16  C6a C    24.6962  -15.4768
            17  O6a O    25.9092  -16.1771
            18  C1b C    23.4781  -17.5776
            19  C1c C    24.6756  -18.2748
            20  O6a O    24.6962  -14.0764
            21  C1a C    25.9183  -17.5629
            22  C1a C    24.6756  -19.6748
BOND        21
            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   16  20 2
            20   19  21 1
            21   19  22 1

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