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
246.2636
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]
3DMET: B04929
NIKKAJI: J18.376H
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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Pathway (3)   
   KEGG PATHWAY (3)   
Chemical substance (25)   
   PubChem (1)   
   ChEBI (3)   
   3DMET (1)   
   KNApSAcK (1)   
   MASSBANK (17)   
   NIKKAJI (1)   
   PDB-CCD (1)   
Chemical reaction (3)   
   KEGG ENZYME (1)   
   KEGG REACTION (2)   
Gene (105)   
   KEGG GENES (105)   
All databases (136)   

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KEGG   COMPOUND: C01682
Entry
C01682                      Compound                               
Name
Nopaline;
D-Nopaline;
N2-(D-1,3-Dicarboxypropyl)-L-arginine;
N-[(1S)-4-Carbamimidamido-1-carboxybutyl]-D-glutamic acid
Formula
C11H20N4O6
Exact mass
304.1383
Mol weight
304.2997
Structure
Reaction
R00563 R12706
Pathway
map00330  Arginine and proline metabolism
map01100  Metabolic pathways
map02010  ABC transporters
Enzyme
1.5.1.19
Other DBs
CAS: 22350-70-5
PubChem: 4824
ChEBI: 17249
KNApSAcK: C00001548
PDB-CCD: 2W2[PDBj]
3DMET: B04808
NIKKAJI: J15.868B
KCF data

ATOM        21
            1   N1a N    19.2500  -22.9600
            2   C2c C    20.4624  -22.2600
            3   N1b N    21.6749  -22.9600
            4   C1b C    22.8873  -22.2600
            5   C1b C    24.0997  -22.9600
            6   C1b C    25.3122  -22.2600
            7   C1c C    26.5246  -22.9600
            8   C6a C    27.7370  -22.2600
            9   O6a O    28.9495  -22.9600
            10  N2a N    20.4624  -20.8602
            11  O6a O    27.7370  -20.8601
            12  N1b N    26.5246  -24.3600
            13  C1c C    26.5246  -25.7600
            14  C1b C    25.3162  -26.4577
            15  C6a C    27.7411  -26.4623
            16  O6a O    28.9386  -25.7708
            17  O6a O    27.7411  -27.8598
            18  C1b C    24.1227  -25.7684
            19  C6a C    22.9344  -26.4545
            20  O6a O    21.7436  -25.7668
            21  O6a O    22.9342  -27.8598
BOND        20
            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     2  10 2
            10    8  11 2
            11    7  12 1 #Up
            12   13  12 1 #Up
            13   13  14 1
            14   13  15 1
            15   15  16 1
            16   15  17 2
            17   14  18 1
            18   18  19 1
            19   19  20 1
            20   19  21 2

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Pathway (3)   
   KEGG PATHWAY (3)   
Chemical substance (6)   
   PubChem (1)   
   ChEBI (1)   
   3DMET (1)   
   KNApSAcK (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
Chemical reaction (3)   
   KEGG ENZYME (1)   
   KEGG REACTION (2)   
Gene (12)   
   KEGG GENES (12)   
All databases (24)   

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