KEGG   COMPOUND: C04137
Entry
C04137                      Compound                               
Name
Octopine;
D-Octopine;
N2-(D-1-Carboxyethyl)-L-arginine;
N2-(1-Carboxyethyl)-L-arginine;
Arginine, N2-(1-carboxyethyl)-, L-;
D-(+)-Octopine;
L-Arginine, N2-(1-carboxyethyl)-, (R)-;
L-Arginine, N2-[(1R)-1-carboxyethyl]-
Formula
C9H18N4O4
Exact mass
246.1328
Mol weight
246.26
Structure
Reaction
R00562 R12707
Pathway
map00330  Arginine and proline metabolism
map01100  Metabolic pathways
map02010  ABC transporters
Enzyme
1.5.1.11
Other DBs
CAS: 34522-32-2
PubChem: 6823
ChEBI: 15805 177806 182149
KNApSAcK: C00001549
PDB-CCD: 6DB[PDBj]
NIKKAJI: J18.376H
LinkDB
KCF data

ATOM        17
            1   O6a O    14.3500  -15.2600
            2   C6a C    15.5400  -14.5600
            3   C1c C    16.8000  -15.2600
            4   C1b C    17.9900  -14.5600
            5   C1b C    19.1800  -15.2600
            6   C1b C    20.3700  -14.5600
            7   N1b N    21.6300  -15.2600
            8   C2c C    22.8200  -14.5600
            9   N1a N    24.0100  -15.2600
            10  N2a N    22.8200  -13.1600
            11  O6a O    15.5400  -13.1600
            12  N1b N    16.8000  -17.5700
            13  C1c C    15.6100  -18.2000
            14  C6a C    14.4200  -17.5700
            15  O6a O    13.2300  -18.2000
            16  C1a C    15.6100  -19.6000
            17  O6a O    14.4200  -16.3100
BOND        16
            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     8  10 2
            10    2  11 2
            11    3  12 1 #Down
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   13  16 1 #Down
            16   14  17 2

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