KEGG   COMPOUND: C04137Help
Entry
C04137                      Compound                               

Name
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]-;
Octopine
Formula
C9H18N4O4
Exact mass
246.1328
Mol weight
246.2636
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Arginine and proline metabolism
ABC transporters
Enzyme
Other DBs
CAS: 
34522-32-2
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        17
            1   O6a O    19.8100  -27.5100
            2   C6a C    21.0224  -26.8100
            3   C1c C    22.2349  -27.5100
            4   C1b C    23.4473  -26.8100
            5   C1b C    24.6597  -27.5100
            6   C1b C    25.8722  -26.8100
            7   N1b N    27.0846  -27.5100
            8   C2c C    28.2970  -26.8100
            9   N1a N    29.5095  -27.5100
            10  N2a N    28.2970  -25.4101
            11  O6a O    21.0224  -25.4102
            12  N1b N    22.2349  -29.4698
            13  C1c C    21.0413  -30.1590
            14  C6a C    19.8552  -29.4742
            15  O6a O    18.6633  -30.1625
            16  C1a C    21.0411  -31.5697
            17  O6a O    19.8550  -28.4902
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
            16   14  17 2

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