KEGG   COMPOUND: C22025
Entry
C22025                      Compound                               
Name
(2S)-2-Amino-4-{[(1R)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]amino}butanoate;
N-[(3S)-3-Amino-3-carboxypropyl]-D-histidine
Formula
C10H16N4O4
Exact mass
256.1172
Mol weight
256.26
Structure
Reaction
R12237 R12341
Pathway
map00470  D-Amino acid metabolism
map01100  Metabolic pathways
Module
M00949  Staphylopine biosynthesis, L-histidine => staphylopine
Enzyme
1.5.1.52        2.5.1.152
Other DBs
PubChem: 384585085
PDB-CCD: FN6[PDBj]
LinkDB
KCF data

ATOM        18
            1   C1c C    19.3737  -16.8576
            2   C6a C    19.3737  -15.4587
            3   O6a O    18.1147  -14.7592
            4   C1b C    20.5628  -17.5571
            5   C8y C    21.7519  -16.8576
            6   C8x C    21.7519  -15.4587
            7   O6a O    20.5628  -14.7592
            8   N5x N    23.0809  -17.2773
            9   C8x C    23.9202  -16.1582
            10  N4x N    23.0809  -15.0390
            11  C1c C    14.4775  -16.8576
            12  C6a C    14.4775  -15.4587
            13  C1b C    15.7365  -17.5571
            14  C1b C    16.9256  -16.8576
            15  O6a O    15.7365  -14.7592
            16  N1b N    18.1147  -17.5571
            17  O6a O    13.2884  -14.7592
            18  N1a N    13.2651  -17.5576
BOND        18
            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    1  16 1 #Up
            18   11  18 1 #Down

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