KEGG   COMPOUND: C22024
Entry
C22024                      Compound                               

Name
Staphylopine;
(2S)-4-{[(1R)-1-Carboxy-2-(1H-imidazol-4-yl)ethyl]amino}-2-[(1-carboxyethyl)amino]butanoate
Formula
C13H20N4O6
Exact mass
328.1383
Mol weight
328.3211
Structure
Reaction
Pathway
map00470  D-Amino acid metabolism
map01100  Metabolic pathways
Module
M00949  Staphylopine biosynthesis, L-histidine => staphylopine
Enzyme
Other DBs
PubChem: 384585084
PDB-CCD: 8UX[PDBj]
LinkDB
KCF data

ATOM        23
            1   C1c C    21.1795  -16.1700
            2   C6a C    21.1795  -14.7700
            3   O6a O    19.9670  -14.0700
            4   C1b C    22.3919  -16.8700
            5   C8y C    23.6044  -16.1700
            6   C8x C    23.6044  -14.7700
            7   O6a O    22.3919  -14.0700
            8   N5x N    24.9358  -16.6026
            9   C8x C    25.7588  -15.4700
            10  N4x N    24.9358  -14.3374
            11  C1c C    16.3297  -16.1700
            12  C6a C    16.3297  -14.7700
            13  C1b C    17.5422  -16.8700
            14  C1b C    18.7546  -16.1700
            15  O6a O    17.5422  -14.0700
            16  N1b N    19.9670  -16.8700
            17  O6a O    15.1173  -14.0700
            18  O6a O    11.4800  -16.1700
            19  C6a C    12.6924  -16.8700
            20  C1c C    13.9049  -16.1700
            21  N1b N    15.1173  -16.8700
            22  O6a O    12.6924  -18.2700
            23  C1a C    13.9049  -14.7700
BOND        23
            1     1   2 1
            2     2   3 2
            3     1   4 1
            4     4   5 1
            5     5   6 2
            6     2   7 1
            7     5   8 1
            8     8   9 2
            9     9  10 1
            10    6  10 1
            11   11  12 1
            12   11  13 1
            13   13  14 1
            14   12  15 1
            15   14  16 1
            16   12  17 2
            17   18  19 1
            18   19  20 1
            19   20  21 1
            20   19  22 2
            21   11  21 1 #Down
            22    1  16 1 #Up
            23   20  23 1

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