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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 17:51:39 UTC

Update Date

2022-03-07 02:53:27 UTC

HMDB ID

HMDB0032764

Secondary Accession Numbers

HMDB32764

Metabolite Identification

Common Name

N2-Succinoylarginine

Description

N2-Succinoylarginine is found in pomes. N2-Succinoylarginine is a constituent of the shoots of pear trees Busulfan is an antineoplastic in the class of alkylating agents and is used to treat various forms of cancer. Alkylating agents are so named because of their ability to add alkyl groups to many electronegative groups under conditions present in cells. They stop tumor growth by cross-linking guanine bases in DNA double-helix strands - directly attacking DNA. This makes the strands unable to uncoil and separate. As this is necessary in DNA replication, the cells can no longer divide. In addition, these drugs add methyl or other alkyl groups onto molecules where they do not belong which in turn inhibits their correct utilization by base pairing and causes a miscoding of DNA. Alkylating agents are cell cycle-nonspecific. Alkylating agents work by three different mechanisms all of which achieve the same end result - disruption of DNA function and cell death.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0032764
     RDKit          3D
N2-Succinoylarginine
 37 36  0  0  0  0  0  0  0  0999 V2000
   -6.2875    0.6989    0.8972 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3231   -0.1512    0.6472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4728   -0.9297   -0.5279 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1990   -0.2880    1.4960 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8369    0.0870    1.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3351   -0.8228    0.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0252   -0.5371   -0.5858 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2327   -0.5101    0.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2893   -0.2405   -0.8701 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4703    0.1358   -0.4821 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7174    0.2754    0.8571 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4628    0.3862   -1.5308 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7049   -0.4257   -1.4550 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5241   -0.2422   -0.2610 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2411    0.5877    0.6113 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6898   -1.0057   -0.0357 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3113    0.6433    1.1096 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1116    0.6638    2.3335 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6563    1.8936    0.5492 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2585    1.3127    1.7412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4726   -0.4460   -1.4489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5835   -1.9645   -0.5154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3619   -0.6660    2.4488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2091   -0.0882    1.9746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7582    1.1506    0.8061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1228   -0.9878   -0.8005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2747   -1.8908    0.4431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8999   -1.3047   -1.4445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1108    0.4719   -1.1436 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4538   -1.4271    0.7157 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6855   -0.5237    1.4767 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7913    1.4708   -1.4773 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0301    0.2004   -2.5598 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3455   -0.1185   -2.3315 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4999   -1.5167   -1.6431 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5204   -0.4400    0.1884 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7937    2.0150   -0.4437 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  3
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
  8 17  1  0
 17 18  2  0
 17 19  1  0
  1 20  1  0
  3 21  1  0
  3 22  1  0
  4 23  1  0
  5 24  1  0
  5 25  1  0
  6 26  1  0
  6 27  1  0
  7 28  1  0
  7 29  1  0
  8 30  1  0
 11 31  1  0
 12 32  1  0
 12 33  1  0
 13 34  1  0
 13 35  1  0
 16 36  1  0
 19 37  1  0
M  END

Structure #1
  Mrv0541 02241207032D          

 19 18  0  0  0  0            999 V2000
   -1.2672   -1.0263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8073   -1.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5078   -2.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2377   -3.3649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4571   -1.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6175   -1.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9677   -1.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7778   -3.9886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8875   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8931   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4332   -0.0908    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1632   -1.4940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0830   -0.5586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1575   -2.1177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2377   -1.1822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5078   -4.7681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5879   -3.8327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6976   -0.5586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3474   -0.0908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5 13  1  0  0  0  0
  6  9  1  0  0  0  0
 14  6  1  4  0  0  0
  7 14  2  0  0  0  0
  7 15  1  0  0  0  0
  8 16  2  0  0  0  0
  8 17  1  0  0  0  0
  9 18  2  0  0  0  0
  9 19  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0032764

> <DATABASE_NAME>
hmdb

> <SMILES>
NC(=N)NCCCC(N=C(O)CCC(O)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C10H18N4O5/c11-10(12)13-5-1-2-6(9(18)19)14-7(15)3-4-8(16)17/h6H,1-5H2,(H,14,15)(H,16,17)(H,18,19)(H4,11,12,13)

> <INCHI_KEY>
UMOXFSXIFQOWTD-UHFFFAOYSA-N

> <FORMULA>
C10H18N4O5

> <MOLECULAR_WEIGHT>
274.2737

> <EXACT_MASS>
274.127719706

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
27.08331074608153

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5-carbamimidamido-2-[(3-carboxy-1-hydroxypropylidene)amino]pentanoic acid

> <ALOGPS_LOGP>
-1.58

> <JCHEM_LOGP>
-2.9720114012016547

> <ALOGPS_LOGS>
-2.97

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
4.0669344552055176

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.318862929749506

> <JCHEM_PKA_STRONGEST_BASIC>
12.15535816285152

> <JCHEM_POLAR_SURFACE_AREA>
169.08999999999997

> <JCHEM_REFRACTIVITY>
74.78189999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.97e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5-carbamimidamido-2-[(3-carboxy-1-hydroxypropylidene)amino]pentanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0032764
     RDKit          3D
N2-Succinoylarginine
 37 36  0  0  0  0  0  0  0  0999 V2000
   -6.2875    0.6989    0.8972 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3231   -0.1512    0.6472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4728   -0.9297   -0.5279 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1990   -0.2880    1.4960 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8369    0.0870    1.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3351   -0.8228    0.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0252   -0.5371   -0.5858 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2327   -0.5101    0.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2893   -0.2405   -0.8701 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4703    0.1358   -0.4821 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7174    0.2754    0.8571 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4628    0.3862   -1.5308 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7049   -0.4257   -1.4550 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5241   -0.2422   -0.2610 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2411    0.5877    0.6113 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6898   -1.0057   -0.0357 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3113    0.6433    1.1096 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1116    0.6638    2.3335 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6563    1.8936    0.5492 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2585    1.3127    1.7412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4726   -0.4460   -1.4489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5835   -1.9645   -0.5154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3619   -0.6660    2.4488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2091   -0.0882    1.9746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7582    1.1506    0.8061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1228   -0.9878   -0.8005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2747   -1.8908    0.4431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8999   -1.3047   -1.4445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1108    0.4719   -1.1436 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4538   -1.4271    0.7157 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6855   -0.5237    1.4767 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7913    1.4708   -1.4773 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0301    0.2004   -2.5598 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3455   -0.1185   -2.3315 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4999   -1.5167   -1.6431 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5204   -0.4400    0.1884 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7937    2.0150   -0.4437 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  3
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
  8 17  1  0
 17 18  2  0
 17 19  1  0
  1 20  1  0
  3 21  1  0
  3 22  1  0
  4 23  1  0
  5 24  1  0
  5 25  1  0
  6 26  1  0
  6 27  1  0
  7 28  1  0
  7 29  1  0
  8 30  1  0
 11 31  1  0
 12 32  1  0
 12 33  1  0
 13 34  1  0
 13 35  1  0
 16 36  1  0
 19 37  1  0
M  END

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: Structure #1                                      
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      -2.365  -1.916   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -3.374  -3.080   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -8.415  -4.826   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -7.910  -6.281   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.853  -2.207   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -4.886  -2.789   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -7.406  -3.662   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -8.919  -7.445   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -5.390  -1.334   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.667  -1.334   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0       2.675  -0.169   0.000  0.00  0.00           N+0
HETATM   12  N   UNK     0       2.171  -2.789   0.000  0.00  0.00           N+0
HETATM   13  N   UNK     0       0.155  -1.043   0.000  0.00  0.00           N+0
HETATM   14  N   UNK     0      -5.894  -3.953   0.000  0.00  0.00           N+0
HETATM   15  O   UNK     0      -7.910  -2.207   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      -8.415  -8.900   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0     -10.431  -7.154   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      -6.902  -1.043   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      -4.382  -0.169   0.000  0.00  0.00           O+0
CONECT    1    2    5                                                       
CONECT    2    1    6                                                       
CONECT    3    4    7                                                       
CONECT    4    3    8                                                       
CONECT    5    1   13                                                       
CONECT    6    2    9   14                                                  
CONECT    7    3   14   15                                                  
CONECT    8    4   16   17                                                  
CONECT    9    6   18   19                                                  
CONECT   10   11   12   13                                                  
CONECT   11   10                                                            
CONECT   12   10                                                            
CONECT   13    5   10                                                       
CONECT   14    6    7                                                       
CONECT   15    7                                                            
CONECT   16    8                                                            
CONECT   17    8                                                            
CONECT   18    9                                                            
CONECT   19    9                                                            
MASTER        0    0    0    0    0    0    0    0   19    0   36    0
END

COMPND    HMDB0032764
HETATM    1  N1  UNL     1      -6.288   0.699   0.897  1.00  0.00           N  
HETATM    2  C1  UNL     1      -5.323  -0.151   0.647  1.00  0.00           C  
HETATM    3  N2  UNL     1      -5.473  -0.930  -0.528  1.00  0.00           N  
HETATM    4  N3  UNL     1      -4.199  -0.288   1.496  1.00  0.00           N  
HETATM    5  C2  UNL     1      -2.837   0.087   1.063  1.00  0.00           C  
HETATM    6  C3  UNL     1      -2.335  -0.823   0.011  1.00  0.00           C  
HETATM    7  C4  UNL     1      -1.025  -0.537  -0.586  1.00  0.00           C  
HETATM    8  C5  UNL     1       0.233  -0.510   0.187  1.00  0.00           C  
HETATM    9  N4  UNL     1       1.289  -0.241  -0.870  1.00  0.00           N  
HETATM   10  C6  UNL     1       2.470   0.136  -0.482  1.00  0.00           C  
HETATM   11  O1  UNL     1       2.717   0.275   0.857  1.00  0.00           O  
HETATM   12  C7  UNL     1       3.463   0.386  -1.531  1.00  0.00           C  
HETATM   13  C8  UNL     1       4.705  -0.426  -1.455  1.00  0.00           C  
HETATM   14  C9  UNL     1       5.524  -0.242  -0.261  1.00  0.00           C  
HETATM   15  O2  UNL     1       5.241   0.588   0.611  1.00  0.00           O  
HETATM   16  O3  UNL     1       6.690  -1.006  -0.036  1.00  0.00           O  
HETATM   17  C10 UNL     1       0.311   0.643   1.110  1.00  0.00           C  
HETATM   18  O4  UNL     1       0.112   0.664   2.334  1.00  0.00           O  
HETATM   19  O5  UNL     1       0.656   1.894   0.549  1.00  0.00           O  
HETATM   20  H1  UNL     1      -6.259   1.313   1.741  1.00  0.00           H  
HETATM   21  H2  UNL     1      -5.473  -0.446  -1.449  1.00  0.00           H  
HETATM   22  H3  UNL     1      -5.584  -1.965  -0.515  1.00  0.00           H  
HETATM   23  H4  UNL     1      -4.362  -0.666   2.449  1.00  0.00           H  
HETATM   24  H5  UNL     1      -2.209  -0.088   1.975  1.00  0.00           H  
HETATM   25  H6  UNL     1      -2.758   1.151   0.806  1.00  0.00           H  
HETATM   26  H7  UNL     1      -3.123  -0.988  -0.801  1.00  0.00           H  
HETATM   27  H8  UNL     1      -2.275  -1.891   0.443  1.00  0.00           H  
HETATM   28  H9  UNL     1      -0.900  -1.305  -1.444  1.00  0.00           H  
HETATM   29  H10 UNL     1      -1.111   0.472  -1.144  1.00  0.00           H  
HETATM   30  H11 UNL     1       0.454  -1.427   0.716  1.00  0.00           H  
HETATM   31  H12 UNL     1       2.686  -0.524   1.477  1.00  0.00           H  
HETATM   32  H13 UNL     1       3.791   1.471  -1.477  1.00  0.00           H  
HETATM   33  H14 UNL     1       3.030   0.200  -2.560  1.00  0.00           H  
HETATM   34  H15 UNL     1       5.345  -0.118  -2.332  1.00  0.00           H  
HETATM   35  H16 UNL     1       4.500  -1.517  -1.643  1.00  0.00           H  
HETATM   36  H17 UNL     1       7.520  -0.440   0.188  1.00  0.00           H  
HETATM   37  H18 UNL     1       0.794   2.015  -0.444  1.00  0.00           H  
CONECT    1    2    2   20
CONECT    2    3    4
CONECT    3   21   22
CONECT    4    5   23
CONECT    5    6   24   25
CONECT    6    7   26   27
CONECT    7    8   28   29
CONECT    8    9   17   30
CONECT    9   10   10
CONECT   10   11   12
CONECT   11   31
CONECT   12   13   32   33
CONECT   13   14   34   35
CONECT   14   15   15   16
CONECT   16   36
CONECT   17   18   18   19
CONECT   19   37
END

HMDB0032764
     RDKit          3D
N2-Succinoylarginine
 37 36  0  0  0  0  0  0  0  0999 V2000
   -6.2875    0.6989    0.8972 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3231   -0.1512    0.6472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4728   -0.9297   -0.5279 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1990   -0.2880    1.4960 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8369    0.0870    1.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3351   -0.8228    0.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0252   -0.5371   -0.5858 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2327   -0.5101    0.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2893   -0.2405   -0.8701 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4703    0.1358   -0.4821 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7174    0.2754    0.8571 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4628    0.3862   -1.5308 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7049   -0.4257   -1.4550 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5241   -0.2422   -0.2610 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2411    0.5877    0.6113 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6898   -1.0057   -0.0357 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3113    0.6433    1.1096 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1116    0.6638    2.3335 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6563    1.8936    0.5492 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2585    1.3127    1.7412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4726   -0.4460   -1.4489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5835   -1.9645   -0.5154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3619   -0.6660    2.4488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2091   -0.0882    1.9746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7582    1.1506    0.8061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1228   -0.9878   -0.8005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2747   -1.8908    0.4431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8999   -1.3047   -1.4445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1108    0.4719   -1.1436 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4538   -1.4271    0.7157 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6855   -0.5237    1.4767 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7913    1.4708   -1.4773 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0301    0.2004   -2.5598 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3455   -0.1185   -2.3315 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4999   -1.5167   -1.6431 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5204   -0.4400    0.1884 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7937    2.0150   -0.4437 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  3
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
  8 17  1  0
 17 18  2  0
 17 19  1  0
  1 20  1  0
  3 21  1  0
  3 22  1  0
  4 23  1  0
  5 24  1  0
  5 25  1  0
  6 26  1  0
  6 27  1  0
  7 28  1  0
  7 29  1  0
  8 30  1  0
 11 31  1  0
 12 32  1  0
 12 33  1  0
 13 34  1  0
 13 35  1  0
 16 36  1  0
 19 37  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Busulfan	MeSH
Busulfex	MeSH
Glyzophrol	MeSH
Busulphan	MeSH
Mylecytan	MeSH
N-Butane-1,3-di(methylsulfonate)	MeSH
Busulfan wellcome	MeSH
Myelosan	MeSH
Myleran	MeSH
Myléran	MeSH
Wellcome, busulfan	MeSH
1, 4-Dimethanesulfonoxybutane	HMDB
1, 4-Dimethylsulfonoxybutane	HMDB
1,4-Bis(methanesulfonoxy)butane	HMDB
1,4-Bis(methanesulfonyloxy)butane	HMDB
1,4-Bis[methanesulfonoxy]butane	HMDB
1,4-Butanedi yl dimethanesulfonate	HMDB
1,4-Butanediol dimethanesulfonate	HMDB
1,4-Butanediol dimethanesulphonate	HMDB
1,4-Butanediol dimethylsulfonate	HMDB
1,4-Butanediol, dimethanesulfonate	HMDB
1,4-Butanediol, dimethanesulphonate	HMDB
1,4-Butanediyl dimethanesulfonate	HMDB
1,4-Di(methylsulfonoxy)butane	HMDB
1,4-Dimesyloxybutane	HMDB
1,4-Dimethane sulfonyl oxybutane	HMDB
1,4-Dimethanesulfonoxybutane	HMDB
1,4-Dimethanesulfonoxylbutane	HMDB
1,4-Dimethanesulfonyloxybutane	HMDB
1,4-Dimethanesulphonyloxybutane	HMDB
1,4-Dimethylsulfonoxybutane	HMDB
1,4-Dimethylsulfonyloxybutane	HMDB
4-((Methylsulfonyl)oxy)butyl methanesulfonate	HMDB
4-Methylsulfonyloxybutyl methanesulfonate	HMDB
BUsulfan (1,4-butanediol, dimethanesulfonATE)	HMDB
Busulfan (JP15/usp/inn)	HMDB
Busulfan glaxosmithkline brand	HMDB
Busulfan orphan brand	HMDB
Busulfan wellcome brand	HMDB
Busulfano	HMDB
Busulfanum	HMDB
Busulphane	HMDB
Butane-1,4-diyl dimethanesulfonate	HMDB
Butanedioldimethanesulfonate	HMDB
Buzulfan	HMDB
Citosulfan	HMDB
glaxo Wellcome brand OF busulfan	HMDB
Glaxosmithkline brand OF busulfan	HMDB
Leucosulfan	HMDB
Mablin	HMDB
Methanesulfonic acid, tetram ethylene ester	HMDB
Methanesulfonic acid, tetramethylene ester	HMDB
Mielevcin	HMDB
Mielosan	HMDB
Mielucin	HMDB
Milecitan	HMDB
Mileran	HMDB
Misulban	HMDB
Mitostan	HMDB
Myeleukon	HMDB
Myeloleukon	HMDB
Myelosanum	HMDB
Mylerlan	HMDB
NSC-750SUlphabutin	HMDB
Orphan brand OF busulfan	HMDB
Sulfabutin	HMDB
Sulphabutin	HMDB
Tetramethylene bis(methanesulfonate)	HMDB
Tetramethylene bis[methanesulfonate]	HMDB
Tetramethylene dimethane sulfonate	HMDB
Tetramethylenester kyseliny methansulfonove	HMDB
Wellcome brand OF busulfan	HMDB
5-Carbamimidamido-2-[(3-carboxy-1-hydroxypropylidene)amino]pentanoate	Generator

Chemical Formula

C₁₀H₁₈N₄O₅

Average Molecular Weight

274.2737

Monoisotopic Molecular Weight

274.127719706

IUPAC Name

5-carbamimidamido-2-[(3-carboxy-1-hydroxypropylidene)amino]pentanoic acid

Traditional Name

5-carbamimidamido-2-[(3-carboxy-1-hydroxypropylidene)amino]pentanoic acid

CAS Registry Number

2478-02-6

SMILES

NC(=N)NCCCC(N=C(O)CCC(O)=O)C(O)=O

InChI Identifier

InChI=1S/C10H18N4O5/c11-10(12)13-5-1-2-6(9(18)19)14-7(15)3-4-8(16)17/h6H,1-5H2,(H,14,15)(H,16,17)(H,18,19)(H4,11,12,13)

InChI Key

UMOXFSXIFQOWTD-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as n-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

N-acyl-alpha amino acids

Alternative Parents

Substituents

N-acyl-alpha-amino acid
Dicarboxylic acid or derivatives
Fatty amide
N-acyl-amine
Fatty acid
Fatty acyl
Secondary carboxylic acid amide
Carboxamide group
Guanidine
Carboxylic acid
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Carboximidamide
Organooxygen compound
Organonitrogen compound
Organic nitrogen compound
Carbonyl group
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic oxygen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Route of exposure

Enteral

Ingestion (HMDB: HMDB0032764)

Source

Exogenous

Food

Food (HMDB: HMDB0032764)

Fruit

Pome

Pomes (FooDB: FOOD00856)

Endogenous

Plant

Plant (HMDB: HMDB0032764)

Process

Not Available

Role

Industrial application

Drug (HMDB: HMDB0032764)

Biological role

Nutrient

Nutrient (HMDB: HMDB0032764)

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.41 g/L	ALOGPS
logP	-1.6	ALOGPS
logP	-3	ChemAxon
logS	-3	ALOGPS
pKa (Strongest Acidic)	3.32	ChemAxon
pKa (Strongest Basic)	12.16	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	169.09 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	74.78 m³·mol⁻¹	ChemAxon
Polarizability	27.08 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	163.884	31661259
DarkChem	[M-H]-	159.595	31661259
DeepCCS	[M+H]+	158.621	30932474
DeepCCS	[M-H]-	156.263	30932474
DeepCCS	[M-2H]-	190.37	30932474
DeepCCS	[M+Na]+	166.375	30932474
AllCCS	[M+H]+	160.3	32859911
AllCCS	[M+H-H2O]+	157.4	32859911
AllCCS	[M+NH4]+	163.1	32859911
AllCCS	[M+Na]+	163.9	32859911
AllCCS	[M-H]-	161.4	32859911
AllCCS	[M+Na-2H]-	162.0	32859911
AllCCS	[M+HCOO]-	162.7	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
N2-Succinoylarginine	NC(=N)NCCCC(N=C(O)CCC(O)=O)C(O)=O	3865.0	Standard polar	33892256
N2-Succinoylarginine	NC(=N)NCCCC(N=C(O)CCC(O)=O)C(O)=O	2299.4	Standard non polar	33892256
N2-Succinoylarginine	NC(=N)NCCCC(N=C(O)CCC(O)=O)C(O)=O	2944.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
N2-Succinoylarginine,1TMS,isomer #1	C[Si](C)(C)OC(CCC(=O)O)=NC(CCCNC(=N)N)C(=O)O	2792.7	Semi standard non polar	33892256
N2-Succinoylarginine,1TMS,isomer #2	C[Si](C)(C)OC(=O)CCC(O)=NC(CCCNC(=N)N)C(=O)O	2804.5	Semi standard non polar	33892256
N2-Succinoylarginine,1TMS,isomer #3	C[Si](C)(C)OC(=O)C(CCCNC(=N)N)N=C(O)CCC(=O)O	2797.5	Semi standard non polar	33892256
N2-Succinoylarginine,1TMS,isomer #4	C[Si](C)(C)NC(=N)NCCCC(N=C(O)CCC(=O)O)C(=O)O	2969.6	Semi standard non polar	33892256
N2-Succinoylarginine,1TMS,isomer #5	C[Si](C)(C)N=C(N)NCCCC(N=C(O)CCC(=O)O)C(=O)O	2798.2	Semi standard non polar	33892256
N2-Succinoylarginine,1TMS,isomer #6	C[Si](C)(C)N(CCCC(N=C(O)CCC(=O)O)C(=O)O)C(=N)N	2880.2	Semi standard non polar	33892256
N2-Succinoylarginine,2TMS,isomer #1	C[Si](C)(C)OC(=O)CCC(=NC(CCCNC(=N)N)C(=O)O)O[Si](C)(C)C	2737.5	Semi standard non polar	33892256
N2-Succinoylarginine,2TMS,isomer #10	C[Si](C)(C)NC(=N)NCCCC(N=C(O)CCC(=O)O)C(=O)O[Si](C)(C)C	2902.6	Semi standard non polar	33892256
N2-Succinoylarginine,2TMS,isomer #11	C[Si](C)(C)OC(=O)C(CCCN(C(=N)N)[Si](C)(C)C)N=C(O)CCC(=O)O	2843.9	Semi standard non polar	33892256
N2-Succinoylarginine,2TMS,isomer #12	C[Si](C)(C)N=C(N)NCCCC(N=C(O)CCC(=O)O)C(=O)O[Si](C)(C)C	2716.7	Semi standard non polar	33892256
N2-Succinoylarginine,2TMS,isomer #13	C[Si](C)(C)N(C(=N)NCCCC(N=C(O)CCC(=O)O)C(=O)O)[Si](C)(C)C	3002.7	Semi standard non polar	33892256
N2-Succinoylarginine,2TMS,isomer #14	C[Si](C)(C)N=C(NCCCC(N=C(O)CCC(=O)O)C(=O)O)N[Si](C)(C)C	2851.9	Semi standard non polar	33892256
N2-Succinoylarginine,2TMS,isomer #15	C[Si](C)(C)NC(=N)N(CCCC(N=C(O)CCC(=O)O)C(=O)O)[Si](C)(C)C	2950.2	Semi standard non polar	33892256
N2-Succinoylarginine,2TMS,isomer #16	C[Si](C)(C)N=C(N)N(CCCC(N=C(O)CCC(=O)O)C(=O)O)[Si](C)(C)C	2809.6	Semi standard non polar	33892256
N2-Succinoylarginine,2TMS,isomer #2	C[Si](C)(C)OC(=O)C(CCCNC(=N)N)N=C(CCC(=O)O)O[Si](C)(C)C	2736.0	Semi standard non polar	33892256
N2-Succinoylarginine,2TMS,isomer #3	C[Si](C)(C)NC(=N)NCCCC(N=C(CCC(=O)O)O[Si](C)(C)C)C(=O)O	2898.6	Semi standard non polar	33892256
N2-Succinoylarginine,2TMS,isomer #4	C[Si](C)(C)OC(CCC(=O)O)=NC(CCCN(C(=N)N)[Si](C)(C)C)C(=O)O	2840.6	Semi standard non polar	33892256
N2-Succinoylarginine,2TMS,isomer #5	C[Si](C)(C)N=C(N)NCCCC(N=C(CCC(=O)O)O[Si](C)(C)C)C(=O)O	2722.6	Semi standard non polar	33892256
N2-Succinoylarginine,2TMS,isomer #6	C[Si](C)(C)OC(=O)CCC(O)=NC(CCCNC(=N)N)C(=O)O[Si](C)(C)C	2756.3	Semi standard non polar	33892256
N2-Succinoylarginine,2TMS,isomer #7	C[Si](C)(C)NC(=N)NCCCC(N=C(O)CCC(=O)O[Si](C)(C)C)C(=O)O	2902.0	Semi standard non polar	33892256
N2-Succinoylarginine,2TMS,isomer #8	C[Si](C)(C)OC(=O)CCC(O)=NC(CCCN(C(=N)N)[Si](C)(C)C)C(=O)O	2848.2	Semi standard non polar	33892256
N2-Succinoylarginine,2TMS,isomer #9	C[Si](C)(C)N=C(N)NCCCC(N=C(O)CCC(=O)O[Si](C)(C)C)C(=O)O	2706.8	Semi standard non polar	33892256
N2-Succinoylarginine,3TMS,isomer #1	C[Si](C)(C)OC(=O)CCC(=NC(CCCNC(=N)N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2684.7	Semi standard non polar	33892256
N2-Succinoylarginine,3TMS,isomer #10	C[Si](C)(C)NC(=N)N(CCCC(N=C(CCC(=O)O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2907.9	Semi standard non polar	33892256
N2-Succinoylarginine,3TMS,isomer #11	C[Si](C)(C)N=C(N)N(CCCC(N=C(CCC(=O)O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2736.2	Semi standard non polar	33892256
N2-Succinoylarginine,3TMS,isomer #12	C[Si](C)(C)NC(=N)NCCCC(N=C(O)CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2859.8	Semi standard non polar	33892256
N2-Succinoylarginine,3TMS,isomer #13	C[Si](C)(C)OC(=O)CCC(O)=NC(CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2750.9	Semi standard non polar	33892256
N2-Succinoylarginine,3TMS,isomer #14	C[Si](C)(C)N=C(N)NCCCC(N=C(O)CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2661.3	Semi standard non polar	33892256
N2-Succinoylarginine,3TMS,isomer #15	C[Si](C)(C)OC(=O)CCC(O)=NC(CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2932.7	Semi standard non polar	33892256
N2-Succinoylarginine,3TMS,isomer #16	C[Si](C)(C)N=C(NCCCC(N=C(O)CCC(=O)O[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	2790.1	Semi standard non polar	33892256
N2-Succinoylarginine,3TMS,isomer #17	C[Si](C)(C)NC(=N)N(CCCC(N=C(O)CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2898.2	Semi standard non polar	33892256
N2-Succinoylarginine,3TMS,isomer #18	C[Si](C)(C)N=C(N)N(CCCC(N=C(O)CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2735.3	Semi standard non polar	33892256
N2-Succinoylarginine,3TMS,isomer #19	C[Si](C)(C)OC(=O)C(CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)N=C(O)CCC(=O)O	2940.0	Semi standard non polar	33892256
N2-Succinoylarginine,3TMS,isomer #2	C[Si](C)(C)NC(=N)NCCCC(N=C(CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2853.5	Semi standard non polar	33892256
N2-Succinoylarginine,3TMS,isomer #20	C[Si](C)(C)N=C(NCCCC(N=C(O)CCC(=O)O)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	2801.0	Semi standard non polar	33892256
N2-Succinoylarginine,3TMS,isomer #21	C[Si](C)(C)NC(=N)N(CCCC(N=C(O)CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2894.2	Semi standard non polar	33892256
N2-Succinoylarginine,3TMS,isomer #22	C[Si](C)(C)N=C(N)N(CCCC(N=C(O)CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2736.0	Semi standard non polar	33892256
N2-Succinoylarginine,3TMS,isomer #23	C[Si](C)(C)N=C(NCCCC(N=C(O)CCC(=O)O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2898.1	Semi standard non polar	33892256
N2-Succinoylarginine,3TMS,isomer #24	C[Si](C)(C)N(CCCC(N=C(O)CCC(=O)O)C(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C	3000.4	Semi standard non polar	33892256
N2-Succinoylarginine,3TMS,isomer #25	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCCC(N=C(O)CCC(=O)O)C(=O)O)[Si](C)(C)C	2854.9	Semi standard non polar	33892256
N2-Succinoylarginine,3TMS,isomer #3	C[Si](C)(C)OC(=O)CCC(=NC(CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2770.3	Semi standard non polar	33892256
N2-Succinoylarginine,3TMS,isomer #4	C[Si](C)(C)N=C(N)NCCCC(N=C(CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2653.5	Semi standard non polar	33892256
N2-Succinoylarginine,3TMS,isomer #5	C[Si](C)(C)NC(=N)NCCCC(N=C(CCC(=O)O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2858.3	Semi standard non polar	33892256
N2-Succinoylarginine,3TMS,isomer #6	C[Si](C)(C)OC(=O)C(CCCN(C(=N)N)[Si](C)(C)C)N=C(CCC(=O)O)O[Si](C)(C)C	2746.3	Semi standard non polar	33892256
N2-Succinoylarginine,3TMS,isomer #7	C[Si](C)(C)N=C(N)NCCCC(N=C(CCC(=O)O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2649.2	Semi standard non polar	33892256
N2-Succinoylarginine,3TMS,isomer #8	C[Si](C)(C)OC(CCC(=O)O)=NC(CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2927.7	Semi standard non polar	33892256
N2-Succinoylarginine,3TMS,isomer #9	C[Si](C)(C)N=C(NCCCC(N=C(CCC(=O)O)O[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	2822.6	Semi standard non polar	33892256
N2-Succinoylarginine,4TMS,isomer #1	C[Si](C)(C)NC(=N)NCCCC(N=C(CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2818.3	Semi standard non polar	33892256
N2-Succinoylarginine,4TMS,isomer #1	C[Si](C)(C)NC(=N)NCCCC(N=C(CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2412.4	Standard non polar	33892256
N2-Succinoylarginine,4TMS,isomer #10	C[Si](C)(C)NC(=N)N(CCCC(N=C(CCC(=O)O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2848.4	Semi standard non polar	33892256
N2-Succinoylarginine,4TMS,isomer #10	C[Si](C)(C)NC(=N)N(CCCC(N=C(CCC(=O)O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2462.4	Standard non polar	33892256
N2-Succinoylarginine,4TMS,isomer #11	C[Si](C)(C)N=C(N)N(CCCC(N=C(CCC(=O)O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2675.0	Semi standard non polar	33892256
N2-Succinoylarginine,4TMS,isomer #11	C[Si](C)(C)N=C(N)N(CCCC(N=C(CCC(=O)O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2274.1	Standard non polar	33892256
N2-Succinoylarginine,4TMS,isomer #12	C[Si](C)(C)OC(CCC(=O)O)=NC(CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2933.9	Semi standard non polar	33892256
N2-Succinoylarginine,4TMS,isomer #12	C[Si](C)(C)OC(CCC(=O)O)=NC(CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2632.4	Standard non polar	33892256
N2-Succinoylarginine,4TMS,isomer #13	C[Si](C)(C)N=C(NCCCC(N=C(CCC(=O)O)O[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2844.7	Semi standard non polar	33892256
N2-Succinoylarginine,4TMS,isomer #13	C[Si](C)(C)N=C(NCCCC(N=C(CCC(=O)O)O[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2375.5	Standard non polar	33892256
N2-Succinoylarginine,4TMS,isomer #14	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCCC(N=C(CCC(=O)O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2839.1	Semi standard non polar	33892256
N2-Succinoylarginine,4TMS,isomer #14	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCCC(N=C(CCC(=O)O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2335.6	Standard non polar	33892256
N2-Succinoylarginine,4TMS,isomer #15	C[Si](C)(C)OC(=O)CCC(O)=NC(CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2882.2	Semi standard non polar	33892256
N2-Succinoylarginine,4TMS,isomer #15	C[Si](C)(C)OC(=O)CCC(O)=NC(CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2559.0	Standard non polar	33892256
N2-Succinoylarginine,4TMS,isomer #16	C[Si](C)(C)N=C(NCCCC(N=C(O)CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	2756.4	Semi standard non polar	33892256
N2-Succinoylarginine,4TMS,isomer #16	C[Si](C)(C)N=C(NCCCC(N=C(O)CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	2310.8	Standard non polar	33892256
N2-Succinoylarginine,4TMS,isomer #17	C[Si](C)(C)NC(=N)N(CCCC(N=C(O)CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2830.6	Semi standard non polar	33892256
N2-Succinoylarginine,4TMS,isomer #17	C[Si](C)(C)NC(=N)N(CCCC(N=C(O)CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2507.7	Standard non polar	33892256
N2-Succinoylarginine,4TMS,isomer #18	C[Si](C)(C)N=C(N)N(CCCC(N=C(O)CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2672.5	Semi standard non polar	33892256
N2-Succinoylarginine,4TMS,isomer #18	C[Si](C)(C)N=C(N)N(CCCC(N=C(O)CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2334.8	Standard non polar	33892256
N2-Succinoylarginine,4TMS,isomer #19	C[Si](C)(C)OC(=O)CCC(O)=NC(CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2921.4	Semi standard non polar	33892256
N2-Succinoylarginine,4TMS,isomer #19	C[Si](C)(C)OC(=O)CCC(O)=NC(CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2681.2	Standard non polar	33892256
N2-Succinoylarginine,4TMS,isomer #2	C[Si](C)(C)OC(=O)CCC(=NC(CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2694.1	Semi standard non polar	33892256
N2-Succinoylarginine,4TMS,isomer #2	C[Si](C)(C)OC(=O)CCC(=NC(CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2381.9	Standard non polar	33892256
N2-Succinoylarginine,4TMS,isomer #20	C[Si](C)(C)N=C(NCCCC(N=C(O)CCC(=O)O[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2827.3	Semi standard non polar	33892256
N2-Succinoylarginine,4TMS,isomer #20	C[Si](C)(C)N=C(NCCCC(N=C(O)CCC(=O)O[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2451.1	Standard non polar	33892256
N2-Succinoylarginine,4TMS,isomer #21	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCCC(N=C(O)CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2807.8	Semi standard non polar	33892256
N2-Succinoylarginine,4TMS,isomer #21	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCCC(N=C(O)CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2402.4	Standard non polar	33892256
N2-Succinoylarginine,4TMS,isomer #22	C[Si](C)(C)OC(=O)C(CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N=C(O)CCC(=O)O	2932.3	Semi standard non polar	33892256
N2-Succinoylarginine,4TMS,isomer #22	C[Si](C)(C)OC(=O)C(CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N=C(O)CCC(=O)O	2633.7	Standard non polar	33892256
N2-Succinoylarginine,4TMS,isomer #23	C[Si](C)(C)N=C(NCCCC(N=C(O)CCC(=O)O)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2835.1	Semi standard non polar	33892256
N2-Succinoylarginine,4TMS,isomer #23	C[Si](C)(C)N=C(NCCCC(N=C(O)CCC(=O)O)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2402.1	Standard non polar	33892256
N2-Succinoylarginine,4TMS,isomer #24	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCCC(N=C(O)CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2818.6	Semi standard non polar	33892256
N2-Succinoylarginine,4TMS,isomer #24	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCCC(N=C(O)CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2348.0	Standard non polar	33892256
N2-Succinoylarginine,4TMS,isomer #25	C[Si](C)(C)N=C(N(CCCC(N=C(O)CCC(=O)O)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2893.4	Semi standard non polar	33892256
N2-Succinoylarginine,4TMS,isomer #25	C[Si](C)(C)N=C(N(CCCC(N=C(O)CCC(=O)O)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2599.1	Standard non polar	33892256
N2-Succinoylarginine,4TMS,isomer #3	C[Si](C)(C)N=C(N)NCCCC(N=C(CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2595.9	Semi standard non polar	33892256
N2-Succinoylarginine,4TMS,isomer #3	C[Si](C)(C)N=C(N)NCCCC(N=C(CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2286.0	Standard non polar	33892256
N2-Succinoylarginine,4TMS,isomer #4	C[Si](C)(C)OC(=O)CCC(=NC(CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2876.8	Semi standard non polar	33892256
N2-Succinoylarginine,4TMS,isomer #4	C[Si](C)(C)OC(=O)CCC(=NC(CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2530.8	Standard non polar	33892256
N2-Succinoylarginine,4TMS,isomer #5	C[Si](C)(C)N=C(NCCCC(N=C(CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	2786.3	Semi standard non polar	33892256
N2-Succinoylarginine,4TMS,isomer #5	C[Si](C)(C)N=C(NCCCC(N=C(CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	2272.9	Standard non polar	33892256
N2-Succinoylarginine,4TMS,isomer #6	C[Si](C)(C)NC(=N)N(CCCC(N=C(CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2856.3	Semi standard non polar	33892256
N2-Succinoylarginine,4TMS,isomer #6	C[Si](C)(C)NC(=N)N(CCCC(N=C(CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2486.2	Standard non polar	33892256
N2-Succinoylarginine,4TMS,isomer #7	C[Si](C)(C)N=C(N)N(CCCC(N=C(CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2687.3	Semi standard non polar	33892256
N2-Succinoylarginine,4TMS,isomer #7	C[Si](C)(C)N=C(N)N(CCCC(N=C(CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2304.7	Standard non polar	33892256
N2-Succinoylarginine,4TMS,isomer #8	C[Si](C)(C)OC(=O)C(CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)N=C(CCC(=O)O)O[Si](C)(C)C	2876.5	Semi standard non polar	33892256
N2-Succinoylarginine,4TMS,isomer #8	C[Si](C)(C)OC(=O)C(CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)N=C(CCC(=O)O)O[Si](C)(C)C	2505.3	Standard non polar	33892256
N2-Succinoylarginine,4TMS,isomer #9	C[Si](C)(C)N=C(NCCCC(N=C(CCC(=O)O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	2789.1	Semi standard non polar	33892256
N2-Succinoylarginine,4TMS,isomer #9	C[Si](C)(C)N=C(NCCCC(N=C(CCC(=O)O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	2247.4	Standard non polar	33892256
N2-Succinoylarginine,5TMS,isomer #1	C[Si](C)(C)OC(=O)CCC(=NC(CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2807.1	Semi standard non polar	33892256
N2-Succinoylarginine,5TMS,isomer #1	C[Si](C)(C)OC(=O)CCC(=NC(CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2535.2	Standard non polar	33892256
N2-Succinoylarginine,5TMS,isomer #10	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCCC(N=C(CCC(=O)O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2766.2	Semi standard non polar	33892256
N2-Succinoylarginine,5TMS,isomer #10	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCCC(N=C(CCC(=O)O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2305.0	Standard non polar	33892256
N2-Succinoylarginine,5TMS,isomer #11	C[Si](C)(C)N=C(N(CCCC(N=C(CCC(=O)O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2880.2	Semi standard non polar	33892256
N2-Succinoylarginine,5TMS,isomer #11	C[Si](C)(C)N=C(N(CCCC(N=C(CCC(=O)O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2509.2	Standard non polar	33892256
N2-Succinoylarginine,5TMS,isomer #12	C[Si](C)(C)OC(=O)CCC(O)=NC(CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2885.6	Semi standard non polar	33892256
N2-Succinoylarginine,5TMS,isomer #12	C[Si](C)(C)OC(=O)CCC(O)=NC(CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2656.0	Standard non polar	33892256
N2-Succinoylarginine,5TMS,isomer #13	C[Si](C)(C)N=C(NCCCC(N=C(O)CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2772.2	Semi standard non polar	33892256
N2-Succinoylarginine,5TMS,isomer #13	C[Si](C)(C)N=C(NCCCC(N=C(O)CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2409.8	Standard non polar	33892256
N2-Succinoylarginine,5TMS,isomer #14	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCCC(N=C(O)CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2746.0	Semi standard non polar	33892256
N2-Succinoylarginine,5TMS,isomer #14	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCCC(N=C(O)CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2372.1	Standard non polar	33892256
N2-Succinoylarginine,5TMS,isomer #15	C[Si](C)(C)N=C(N(CCCC(N=C(O)CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2839.7	Semi standard non polar	33892256
N2-Succinoylarginine,5TMS,isomer #15	C[Si](C)(C)N=C(N(CCCC(N=C(O)CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2580.3	Standard non polar	33892256
N2-Succinoylarginine,5TMS,isomer #16	C[Si](C)(C)N=C(N(CCCC(N=C(O)CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2844.7	Semi standard non polar	33892256
N2-Succinoylarginine,5TMS,isomer #16	C[Si](C)(C)N=C(N(CCCC(N=C(O)CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2544.3	Standard non polar	33892256
N2-Succinoylarginine,5TMS,isomer #2	C[Si](C)(C)N=C(NCCCC(N=C(CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	2728.4	Semi standard non polar	33892256
N2-Succinoylarginine,5TMS,isomer #2	C[Si](C)(C)N=C(NCCCC(N=C(CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	2295.8	Standard non polar	33892256
N2-Succinoylarginine,5TMS,isomer #3	C[Si](C)(C)NC(=N)N(CCCC(N=C(CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2787.4	Semi standard non polar	33892256
N2-Succinoylarginine,5TMS,isomer #3	C[Si](C)(C)NC(=N)N(CCCC(N=C(CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2506.9	Standard non polar	33892256
N2-Succinoylarginine,5TMS,isomer #4	C[Si](C)(C)N=C(N)N(CCCC(N=C(CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2629.0	Semi standard non polar	33892256
N2-Succinoylarginine,5TMS,isomer #4	C[Si](C)(C)N=C(N)N(CCCC(N=C(CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2315.0	Standard non polar	33892256
N2-Succinoylarginine,5TMS,isomer #5	C[Si](C)(C)OC(=O)CCC(=NC(CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2887.9	Semi standard non polar	33892256
N2-Succinoylarginine,5TMS,isomer #5	C[Si](C)(C)OC(=O)CCC(=NC(CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2623.3	Standard non polar	33892256
N2-Succinoylarginine,5TMS,isomer #6	C[Si](C)(C)N=C(NCCCC(N=C(CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2773.2	Semi standard non polar	33892256
N2-Succinoylarginine,5TMS,isomer #6	C[Si](C)(C)N=C(NCCCC(N=C(CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2361.3	Standard non polar	33892256
N2-Succinoylarginine,5TMS,isomer #7	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCCC(N=C(CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2765.0	Semi standard non polar	33892256
N2-Succinoylarginine,5TMS,isomer #7	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCCC(N=C(CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2335.4	Standard non polar	33892256
N2-Succinoylarginine,5TMS,isomer #8	C[Si](C)(C)OC(=O)C(CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N=C(CCC(=O)O)O[Si](C)(C)C	2878.3	Semi standard non polar	33892256
N2-Succinoylarginine,5TMS,isomer #8	C[Si](C)(C)OC(=O)C(CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N=C(CCC(=O)O)O[Si](C)(C)C	2603.6	Standard non polar	33892256
N2-Succinoylarginine,5TMS,isomer #9	C[Si](C)(C)N=C(NCCCC(N=C(CCC(=O)O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2774.0	Semi standard non polar	33892256
N2-Succinoylarginine,5TMS,isomer #9	C[Si](C)(C)N=C(NCCCC(N=C(CCC(=O)O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2336.8	Standard non polar	33892256
N2-Succinoylarginine,6TMS,isomer #1	C[Si](C)(C)OC(=O)CCC(=NC(CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2834.6	Semi standard non polar	33892256
N2-Succinoylarginine,6TMS,isomer #1	C[Si](C)(C)OC(=O)CCC(=NC(CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2626.3	Standard non polar	33892256
N2-Succinoylarginine,6TMS,isomer #2	C[Si](C)(C)N=C(NCCCC(N=C(CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2742.7	Semi standard non polar	33892256
N2-Succinoylarginine,6TMS,isomer #2	C[Si](C)(C)N=C(NCCCC(N=C(CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2383.3	Standard non polar	33892256
N2-Succinoylarginine,6TMS,isomer #3	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCCC(N=C(CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2721.2	Semi standard non polar	33892256
N2-Succinoylarginine,6TMS,isomer #3	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCCC(N=C(CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2356.3	Standard non polar	33892256
N2-Succinoylarginine,6TMS,isomer #4	C[Si](C)(C)N=C(N(CCCC(N=C(CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2796.3	Semi standard non polar	33892256
N2-Succinoylarginine,6TMS,isomer #4	C[Si](C)(C)N=C(N(CCCC(N=C(CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2527.6	Standard non polar	33892256
N2-Succinoylarginine,6TMS,isomer #5	C[Si](C)(C)N=C(N(CCCC(N=C(CCC(=O)O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2792.6	Semi standard non polar	33892256
N2-Succinoylarginine,6TMS,isomer #5	C[Si](C)(C)N=C(N(CCCC(N=C(CCC(=O)O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2496.8	Standard non polar	33892256
N2-Succinoylarginine,6TMS,isomer #6	C[Si](C)(C)N=C(N(CCCC(N=C(O)CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2786.4	Semi standard non polar	33892256
N2-Succinoylarginine,6TMS,isomer #6	C[Si](C)(C)N=C(N(CCCC(N=C(O)CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2564.4	Standard non polar	33892256
N2-Succinoylarginine,7TMS,isomer #1	C[Si](C)(C)N=C(N(CCCC(N=C(CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2772.3	Semi standard non polar	33892256
N2-Succinoylarginine,7TMS,isomer #1	C[Si](C)(C)N=C(N(CCCC(N=C(CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2548.7	Standard non polar	33892256
N2-Succinoylarginine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(CCC(=O)O)=NC(CCCNC(=N)N)C(=O)O	3007.5	Semi standard non polar	33892256
N2-Succinoylarginine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CCC(O)=NC(CCCNC(=N)N)C(=O)O	3031.0	Semi standard non polar	33892256
N2-Succinoylarginine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(CCCNC(=N)N)N=C(O)CCC(=O)O	3036.8	Semi standard non polar	33892256
N2-Succinoylarginine,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=N)NCCCC(N=C(O)CCC(=O)O)C(=O)O	3163.9	Semi standard non polar	33892256
N2-Succinoylarginine,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(N)NCCCC(N=C(O)CCC(=O)O)C(=O)O	3004.0	Semi standard non polar	33892256
N2-Succinoylarginine,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(CCCC(N=C(O)CCC(=O)O)C(=O)O)C(=N)N	3074.4	Semi standard non polar	33892256
N2-Succinoylarginine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CCC(=NC(CCCNC(=N)N)C(=O)O)O[Si](C)(C)C(C)(C)C	3179.7	Semi standard non polar	33892256
N2-Succinoylarginine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=N)NCCCC(N=C(O)CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3378.1	Semi standard non polar	33892256
N2-Succinoylarginine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)C(CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)N=C(O)CCC(=O)O	3256.3	Semi standard non polar	33892256
N2-Succinoylarginine,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N=C(N)NCCCC(N=C(O)CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3154.7	Semi standard non polar	33892256
N2-Succinoylarginine,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N(C(=N)NCCCC(N=C(O)CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3364.8	Semi standard non polar	33892256
N2-Succinoylarginine,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(NCCCC(N=C(O)CCC(=O)O)C(=O)O)N[Si](C)(C)C(C)(C)C	3280.7	Semi standard non polar	33892256
N2-Succinoylarginine,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(=N)N(CCCC(N=C(O)CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3379.7	Semi standard non polar	33892256
N2-Succinoylarginine,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C(N)N(CCCC(N=C(O)CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3205.7	Semi standard non polar	33892256
N2-Succinoylarginine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(CCCNC(=N)N)N=C(CCC(=O)O)O[Si](C)(C)C(C)(C)C	3177.6	Semi standard non polar	33892256
N2-Succinoylarginine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=N)NCCCC(N=C(CCC(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O	3351.5	Semi standard non polar	33892256
N2-Succinoylarginine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(CCC(=O)O)=NC(CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O	3236.8	Semi standard non polar	33892256
N2-Succinoylarginine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(N)NCCCC(N=C(CCC(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O	3140.3	Semi standard non polar	33892256
N2-Succinoylarginine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CCC(O)=NC(CCCNC(=N)N)C(=O)O[Si](C)(C)C(C)(C)C	3207.2	Semi standard non polar	33892256
N2-Succinoylarginine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=N)NCCCC(N=C(O)CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3367.6	Semi standard non polar	33892256
N2-Succinoylarginine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)CCC(O)=NC(CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O	3267.2	Semi standard non polar	33892256
N2-Succinoylarginine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C(N)NCCCC(N=C(O)CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3156.2	Semi standard non polar	33892256
N2-Succinoylarginine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CCC(=NC(CCCNC(=N)N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3297.3	Semi standard non polar	33892256
N2-Succinoylarginine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=N)N(CCCC(N=C(CCC(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3520.5	Semi standard non polar	33892256
N2-Succinoylarginine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C(N)N(CCCC(N=C(CCC(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3351.9	Semi standard non polar	33892256
N2-Succinoylarginine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(=N)NCCCC(N=C(O)CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3528.1	Semi standard non polar	33892256
N2-Succinoylarginine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)CCC(O)=NC(CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3393.0	Semi standard non polar	33892256
N2-Succinoylarginine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(N)NCCCC(N=C(O)CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3295.9	Semi standard non polar	33892256
N2-Succinoylarginine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)CCC(O)=NC(CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3525.5	Semi standard non polar	33892256
N2-Succinoylarginine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C(NCCCC(N=C(O)CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)N[Si](C)(C)C(C)(C)C	3417.1	Semi standard non polar	33892256
N2-Succinoylarginine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(=N)N(CCCC(N=C(O)CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3528.2	Semi standard non polar	33892256
N2-Succinoylarginine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C(N)N(CCCC(N=C(O)CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3371.3	Semi standard non polar	33892256
N2-Succinoylarginine,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=O)C(CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(O)CCC(=O)O	3529.4	Semi standard non polar	33892256
N2-Succinoylarginine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=N)NCCCC(N=C(CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3504.1	Semi standard non polar	33892256
N2-Succinoylarginine,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N=C(NCCCC(N=C(O)CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3435.0	Semi standard non polar	33892256
N2-Succinoylarginine,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC(=N)N(CCCC(N=C(O)CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3534.2	Semi standard non polar	33892256
N2-Succinoylarginine,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N=C(N)N(CCCC(N=C(O)CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3381.4	Semi standard non polar	33892256
N2-Succinoylarginine,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)N=C(NCCCC(N=C(O)CCC(=O)O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3459.1	Semi standard non polar	33892256
N2-Succinoylarginine,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N(CCCC(N=C(O)CCC(=O)O)C(=O)O)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3517.3	Semi standard non polar	33892256
N2-Succinoylarginine,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCCC(N=C(O)CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3447.0	Semi standard non polar	33892256
N2-Succinoylarginine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CCC(=NC(CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3364.8	Semi standard non polar	33892256
N2-Succinoylarginine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(N)NCCCC(N=C(CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3254.0	Semi standard non polar	33892256
N2-Succinoylarginine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=N)NCCCC(N=C(CCC(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3493.4	Semi standard non polar	33892256
N2-Succinoylarginine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)C(CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)N=C(CCC(=O)O)O[Si](C)(C)C(C)(C)C	3354.7	Semi standard non polar	33892256
N2-Succinoylarginine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(N)NCCCC(N=C(CCC(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3251.2	Semi standard non polar	33892256
N2-Succinoylarginine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(CCC(=O)O)=NC(CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3508.3	Semi standard non polar	33892256
N2-Succinoylarginine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C(NCCCC(N=C(CCC(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O)N[Si](C)(C)C(C)(C)C	3425.7	Semi standard non polar	33892256
N2-Succinoylarginine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=N)NCCCC(N=C(CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3614.3	Semi standard non polar	33892256
N2-Succinoylarginine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=N)NCCCC(N=C(CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3012.5	Standard non polar	33892256
N2-Succinoylarginine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=N)N(CCCC(N=C(CCC(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3631.0	Semi standard non polar	33892256
N2-Succinoylarginine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=N)N(CCCC(N=C(CCC(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3069.3	Standard non polar	33892256
N2-Succinoylarginine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C(N)N(CCCC(N=C(CCC(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3497.3	Semi standard non polar	33892256
N2-Succinoylarginine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C(N)N(CCCC(N=C(CCC(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2859.2	Standard non polar	33892256
N2-Succinoylarginine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(CCC(=O)O)=NC(CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3700.5	Semi standard non polar	33892256
N2-Succinoylarginine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(CCC(=O)O)=NC(CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3190.5	Standard non polar	33892256
N2-Succinoylarginine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N=C(NCCCC(N=C(CCC(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3597.1	Semi standard non polar	33892256
N2-Succinoylarginine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N=C(NCCCC(N=C(CCC(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2903.7	Standard non polar	33892256
N2-Succinoylarginine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCCC(N=C(CCC(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3580.9	Semi standard non polar	33892256
N2-Succinoylarginine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCCC(N=C(CCC(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	2845.9	Standard non polar	33892256
N2-Succinoylarginine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)CCC(O)=NC(CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3670.3	Semi standard non polar	33892256
N2-Succinoylarginine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)CCC(O)=NC(CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3209.6	Standard non polar	33892256
N2-Succinoylarginine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C(NCCCC(N=C(O)CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3580.3	Semi standard non polar	33892256
N2-Succinoylarginine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C(NCCCC(N=C(O)CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	2936.3	Standard non polar	33892256
N2-Succinoylarginine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(=N)N(CCCC(N=C(O)CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3652.8	Semi standard non polar	33892256
N2-Succinoylarginine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(=N)N(CCCC(N=C(O)CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3166.8	Standard non polar	33892256
N2-Succinoylarginine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C(N)N(CCCC(N=C(O)CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3536.0	Semi standard non polar	33892256
N2-Succinoylarginine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C(N)N(CCCC(N=C(O)CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2996.9	Standard non polar	33892256
N2-Succinoylarginine,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=O)CCC(O)=NC(CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3708.0	Semi standard non polar	33892256
N2-Succinoylarginine,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=O)CCC(O)=NC(CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3291.5	Standard non polar	33892256
N2-Succinoylarginine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CCC(=NC(CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3455.7	Semi standard non polar	33892256
N2-Succinoylarginine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CCC(=NC(CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3017.4	Standard non polar	33892256
N2-Succinoylarginine,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N=C(NCCCC(N=C(O)CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3606.4	Semi standard non polar	33892256
N2-Succinoylarginine,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N=C(NCCCC(N=C(O)CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3057.3	Standard non polar	33892256
N2-Succinoylarginine,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCCC(N=C(O)CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3577.8	Semi standard non polar	33892256
N2-Succinoylarginine,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCCC(N=C(O)CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	2998.7	Standard non polar	33892256
N2-Succinoylarginine,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(=O)C(CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(O)CCC(=O)O	3706.5	Semi standard non polar	33892256
N2-Succinoylarginine,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(=O)C(CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(O)CCC(=O)O	3275.9	Standard non polar	33892256
N2-Succinoylarginine,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)N=C(NCCCC(N=C(O)CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3624.8	Semi standard non polar	33892256
N2-Succinoylarginine,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)N=C(NCCCC(N=C(O)CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3051.6	Standard non polar	33892256
N2-Succinoylarginine,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCCC(N=C(O)CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3601.4	Semi standard non polar	33892256
N2-Succinoylarginine,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCCC(N=C(O)CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2990.0	Standard non polar	33892256
N2-Succinoylarginine,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N=C(N(CCCC(N=C(O)CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3656.6	Semi standard non polar	33892256
N2-Succinoylarginine,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N=C(N(CCCC(N=C(O)CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3188.6	Standard non polar	33892256
N2-Succinoylarginine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(N)NCCCC(N=C(CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3376.4	Semi standard non polar	33892256
N2-Succinoylarginine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(N)NCCCC(N=C(CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2873.7	Standard non polar	33892256
N2-Succinoylarginine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CCC(=NC(CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3643.7	Semi standard non polar	33892256
N2-Succinoylarginine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CCC(=NC(CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3116.4	Standard non polar	33892256
N2-Succinoylarginine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(NCCCC(N=C(CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O)N[Si](C)(C)C(C)(C)C	3545.2	Semi standard non polar	33892256
N2-Succinoylarginine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(NCCCC(N=C(CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O)N[Si](C)(C)C(C)(C)C	2813.1	Standard non polar	33892256
N2-Succinoylarginine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(=N)N(CCCC(N=C(CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3629.6	Semi standard non polar	33892256
N2-Succinoylarginine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(=N)N(CCCC(N=C(CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3075.6	Standard non polar	33892256
N2-Succinoylarginine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(N)N(CCCC(N=C(CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3500.9	Semi standard non polar	33892256
N2-Succinoylarginine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(N)N(CCCC(N=C(CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	2861.5	Standard non polar	33892256
N2-Succinoylarginine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(CCC(=O)O)O[Si](C)(C)C(C)(C)C	3640.4	Semi standard non polar	33892256
N2-Succinoylarginine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(CCC(=O)O)O[Si](C)(C)C(C)(C)C	3108.9	Standard non polar	33892256
N2-Succinoylarginine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C(NCCCC(N=C(CCC(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3547.0	Semi standard non polar	33892256
N2-Succinoylarginine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C(NCCCC(N=C(CCC(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	2808.9	Standard non polar	33892256
N2-Succinoylarginine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CCC(=NC(CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3731.4	Semi standard non polar	33892256
N2-Succinoylarginine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CCC(=NC(CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3270.5	Standard non polar	33892256
N2-Succinoylarginine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCCC(N=C(CCC(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3710.1	Semi standard non polar	33892256
N2-Succinoylarginine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCCC(N=C(CCC(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3006.6	Standard non polar	33892256
N2-Succinoylarginine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C(N(CCCC(N=C(CCC(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3846.3	Semi standard non polar	33892256
N2-Succinoylarginine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C(N(CCCC(N=C(CCC(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3189.5	Standard non polar	33892256
N2-Succinoylarginine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)CCC(O)=NC(CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3873.7	Semi standard non polar	33892256
N2-Succinoylarginine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)CCC(O)=NC(CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3426.9	Standard non polar	33892256
N2-Succinoylarginine,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N=C(NCCCC(N=C(O)CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3773.6	Semi standard non polar	33892256
N2-Succinoylarginine,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N=C(NCCCC(N=C(O)CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3207.5	Standard non polar	33892256
N2-Succinoylarginine,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCCC(N=C(O)CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3734.8	Semi standard non polar	33892256
N2-Succinoylarginine,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCCC(N=C(O)CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3153.0	Standard non polar	33892256
N2-Succinoylarginine,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N=C(N(CCCC(N=C(O)CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3834.4	Semi standard non polar	33892256
N2-Succinoylarginine,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N=C(N(CCCC(N=C(O)CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3333.8	Standard non polar	33892256
N2-Succinoylarginine,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C(N(CCCC(N=C(O)CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3854.8	Semi standard non polar	33892256
N2-Succinoylarginine,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C(N(CCCC(N=C(O)CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3335.4	Standard non polar	33892256
N2-Succinoylarginine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N=C(NCCCC(N=C(CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3663.4	Semi standard non polar	33892256
N2-Succinoylarginine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N=C(NCCCC(N=C(CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	2999.2	Standard non polar	33892256
N2-Succinoylarginine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=N)N(CCCC(N=C(CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3736.9	Semi standard non polar	33892256
N2-Succinoylarginine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=N)N(CCCC(N=C(CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3235.8	Standard non polar	33892256
N2-Succinoylarginine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(N)N(CCCC(N=C(CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3637.4	Semi standard non polar	33892256
N2-Succinoylarginine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(N)N(CCCC(N=C(CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3027.8	Standard non polar	33892256
N2-Succinoylarginine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CCC(=NC(CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3862.2	Semi standard non polar	33892256
N2-Succinoylarginine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CCC(=NC(CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3330.5	Standard non polar	33892256
N2-Succinoylarginine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C(NCCCC(N=C(CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3734.0	Semi standard non polar	33892256
N2-Succinoylarginine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C(NCCCC(N=C(CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3064.9	Standard non polar	33892256
N2-Succinoylarginine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCCC(N=C(CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3705.2	Semi standard non polar	33892256
N2-Succinoylarginine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCCC(N=C(CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3016.7	Standard non polar	33892256
N2-Succinoylarginine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(CCC(=O)O)O[Si](C)(C)C(C)(C)C	3864.8	Semi standard non polar	33892256
N2-Succinoylarginine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(CCC(=O)O)O[Si](C)(C)C(C)(C)C	3325.9	Standard non polar	33892256
N2-Succinoylarginine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C(NCCCC(N=C(CCC(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3746.5	Semi standard non polar	33892256
N2-Succinoylarginine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C(NCCCC(N=C(CCC(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3061.5	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - N2-Succinoylarginine GC-MS (Non-derivatized) - 70eV, Positive	splash10-0fdo-9340000000-a3b2213e2801187b05a4	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N2-Succinoylarginine GC-MS (3 TMS) - 70eV, Positive	splash10-00fu-9235600000-992b7dbcc13babdcc45b	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N2-Succinoylarginine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N2-Succinoylarginine 10V, Positive-QTOF	splash10-00b9-1590000000-cef768612bad507052dc	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N2-Succinoylarginine 20V, Positive-QTOF	splash10-0200-3930000000-69bc0cf4211e77b416c4	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N2-Succinoylarginine 40V, Positive-QTOF	splash10-03di-9500000000-e4e10fd3aae5c6546ced	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N2-Succinoylarginine 10V, Negative-QTOF	splash10-05gi-1390000000-d67cc55d621b74b7c4fe	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N2-Succinoylarginine 20V, Negative-QTOF	splash10-0a5i-7980000000-0119a6fee8faf1ff822f	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N2-Succinoylarginine 40V, Negative-QTOF	splash10-052f-9100000000-8f57457c19e5c09bf582	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N2-Succinoylarginine 10V, Negative-QTOF	splash10-00di-0190000000-6268273627ba27670e04	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N2-Succinoylarginine 20V, Negative-QTOF	splash10-00fr-1920000000-3291eccdc66b52e4ea3f	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N2-Succinoylarginine 40V, Negative-QTOF	splash10-0006-9200000000-38504a63a8bc21a70224	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N2-Succinoylarginine 10V, Positive-QTOF	splash10-004i-0950000000-f98e7f0a8e07f4f10167	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N2-Succinoylarginine 20V, Positive-QTOF	splash10-03di-1900000000-b17ea0660615de9d1cdf	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N2-Succinoylarginine 40V, Positive-QTOF	splash10-01t9-2900000000-0cbe96278755993056af	2021-09-25	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB010731

KNApSAcK ID

Not Available

Chemspider ID

450

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

463

PDB ID

Not Available

ChEBI ID

28901

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Showing metabocard for N2-Succinoylarginine (HMDB0032764)

MOL for HMDB0032764 (N2-Succinoylarginine)

3D MOL for HMDB0032764 (N2-Succinoylarginine)

3D SDF for HMDB0032764 (N2-Succinoylarginine)

3D-SDF for HMDB0032764 (N2-Succinoylarginine)

PDB for HMDB0032764 (N2-Succinoylarginine)

3D PDB for HMDB0032764 (N2-Succinoylarginine)

SMILES for HMDB0032764 (N2-Succinoylarginine)

INCHI for HMDB0032764 (N2-Succinoylarginine)

Structure for HMDB0032764 (N2-Succinoylarginine)

3D Structure for HMDB0032764 (N2-Succinoylarginine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra