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
Pathway
map00330  Arginine and proline metabolism
map01100  Metabolic pathways
map02010  ABC transporters
Enzyme
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 (87)   
   KEGG GENES (87)   
All databases (118)   

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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
Pathway
map00330  Arginine and proline metabolism
map01100  Metabolic pathways
map02010  ABC transporters
Enzyme
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

» Japanese version

  All links  
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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