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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 00:53:13 UTC

Update Date

2022-03-07 02:56:12 UTC

HMDB ID

HMDB0039423

Secondary Accession Numbers

HMDB39423

Metabolite Identification

Common Name

N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine

Description

N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine, also known as N5-acetyl-N2-g-glutamylornithine, 9CI, belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Based on a literature review very few articles have been published on N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine.

Structure

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

HMDB0039423
     RDKit          3D
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine
 42 41  0  0  0  0  0  0  0  0999 V2000
    5.9002    0.2096    1.7056 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5749   -0.4206    1.6185 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7524   -0.2408    2.5521 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1888   -1.2186    0.5302 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9005   -1.8546    0.4049 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7576   -0.8526    0.4025 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9873    0.0619   -0.7807 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9066    1.1159   -0.8960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3962    0.5521   -1.0633 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4295    0.7712   -0.1132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1906    1.4833    0.9066 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7676    0.1952   -0.2798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6730    0.5795    0.8645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0520   -0.0202    0.6830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5897    0.4851   -0.5524 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8788   -1.4900    0.5800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1827   -2.0931   -0.4598 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3685   -2.1732    1.6749 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2508    1.9644   -2.0612 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4143    2.0769   -2.9892 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4435    2.6278   -2.1623 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8535    1.3214    1.6191 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6104   -0.1430    0.9482 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3467   -0.0079    2.6981 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8856   -1.3648   -0.2502 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8561   -2.5157   -0.4660 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7589   -2.4813    1.3146 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7665   -0.2234    1.3124 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8268   -1.4247    0.3231 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1064   -0.5113   -1.7230 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9403    0.6034   -0.6175 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9596    1.7139    0.0456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6054   -0.0357   -1.8982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6676   -0.9273   -0.2367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2248    0.4737   -1.2435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7622    1.6621    0.9636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2004    0.2053    1.8085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6966    0.1742    1.5509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6128    0.3275   -0.5411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2090   -0.1150   -1.3322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9139   -2.1249    2.5271 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4337    3.6342   -2.1486 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  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  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 16 18  1  0
  8 19  1  0
 19 20  2  0
 19 21  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  4 25  1  0
  5 26  1  0
  5 27  1  0
  6 28  1  0
  6 29  1  0
  7 30  1  0
  7 31  1  0
  8 32  1  0
  9 33  1  0
 12 34  1  0
 12 35  1  0
 13 36  1  0
 13 37  1  0
 14 38  1  0
 15 39  1  0
 15 40  1  0
 18 41  1  0
 21 42  1  0
M  END


  Mrv0541 09121200532D          

 21 20  0  0  0  0            999 V2000
   -2.2381   -1.4407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9127   -1.0114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6485   -1.3794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6485    0.2756    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9127   -0.1530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1769    0.2756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4410   -0.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7665    0.2756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8891    1.0728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5637    1.5020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8278    1.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2146    1.6860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0306   -0.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7052    0.3370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4410   -0.1530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1769    0.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9127   -0.1530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6485    0.2143    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0353   -1.0728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6485   -1.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6485   -1.6860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0039423

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C12H21N3O6/c1-7(16)14-6-2-3-9(12(20)21)15-10(17)5-4-8(13)11(18)19/h8-9H,2-6,13H2,1H3,(H,14,16)(H,15,17)(H,18,19)(H,20,21)

> <INCHI_KEY>
JAAJGIIASALJIT-UHFFFAOYSA-N

> <FORMULA>
C12H21N3O6

> <MOLECULAR_WEIGHT>
303.3116

> <EXACT_MASS>
303.143035419

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_AVERAGE_POLARIZABILITY>
30.214179974573216

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-amino-4-[(1-carboxy-4-acetamidobutyl)carbamoyl]butanoic acid

> <ALOGPS_LOGP>
-3.24

> <JCHEM_LOGP>
-4.563585959438966

> <ALOGPS_LOGS>
-1.97

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
3.897740076524516

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.8944605197349245

> <JCHEM_PKA_STRONGEST_BASIC>
9.312077088138023

> <JCHEM_POLAR_SURFACE_AREA>
158.81999999999996

> <JCHEM_REFRACTIVITY>
70.74010000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.27e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-amino-4-[(1-carboxy-4-acetamidobutyl)carbamoyl]butanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0039423
     RDKit          3D
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine
 42 41  0  0  0  0  0  0  0  0999 V2000
    5.9002    0.2096    1.7056 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5749   -0.4206    1.6185 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7524   -0.2408    2.5521 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1888   -1.2186    0.5302 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9005   -1.8546    0.4049 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7576   -0.8526    0.4025 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9873    0.0619   -0.7807 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9066    1.1159   -0.8960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3962    0.5521   -1.0633 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4295    0.7712   -0.1132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1906    1.4833    0.9066 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7676    0.1952   -0.2798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6730    0.5795    0.8645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0520   -0.0202    0.6830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5897    0.4851   -0.5524 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8788   -1.4900    0.5800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1827   -2.0931   -0.4598 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3685   -2.1732    1.6749 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2508    1.9644   -2.0612 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4143    2.0769   -2.9892 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4435    2.6278   -2.1623 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8535    1.3214    1.6191 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6104   -0.1430    0.9482 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3467   -0.0079    2.6981 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8856   -1.3648   -0.2502 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8561   -2.5157   -0.4660 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7589   -2.4813    1.3146 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7665   -0.2234    1.3124 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8268   -1.4247    0.3231 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1064   -0.5113   -1.7230 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9403    0.6034   -0.6175 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9596    1.7139    0.0456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6054   -0.0357   -1.8982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6676   -0.9273   -0.2367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2248    0.4737   -1.2435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7622    1.6621    0.9636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2004    0.2053    1.8085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6966    0.1742    1.5509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6128    0.3275   -0.5411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2090   -0.1150   -1.3322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9139   -2.1249    2.5271 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4337    3.6342   -2.1486 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  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  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 16 18  1  0
  8 19  1  0
 19 20  2  0
 19 21  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  4 25  1  0
  5 26  1  0
  5 27  1  0
  6 28  1  0
  6 29  1  0
  7 30  1  0
  7 31  1  0
  8 32  1  0
  9 33  1  0
 12 34  1  0
 12 35  1  0
 13 36  1  0
 13 37  1  0
 14 38  1  0
 15 39  1  0
 15 40  1  0
 18 41  1  0
 21 42  1  0
M  END

HEADER    PROTEIN                                 12-SEP-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-SEP-12         0                                  
HETATM    1  O   UNK     0      -4.178  -2.689   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -5.437  -1.888   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      -6.811  -2.575   0.000  0.00  0.00           O+0
HETATM    4  N   UNK     0      -6.811   0.514   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0      -5.437  -0.286   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -4.064   0.514   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.690  -0.400   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.431   0.514   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -1.660   2.003   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       2.919   2.804   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       1.545   2.117   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       0.401   3.147   0.000  0.00  0.00           O+0
HETATM   13  N   UNK     0       0.057  -0.171   0.000  0.00  0.00           N+0
HETATM   14  C   UNK     0       1.316   0.629   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.690  -0.286   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.064   0.400   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.437  -0.286   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0       6.811   0.400   0.000  0.00  0.00           N+0
HETATM   19  O   UNK     0       5.666  -2.003   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       6.811  -2.003   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.811  -3.147   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    5                                                  
CONECT    3    2                                                            
CONECT    4    5                                                            
CONECT    5    2    4    6                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   13                                                  
CONECT    9    8                                                            
CONECT   10   11                                                            
CONECT   11   10   12   14                                                  
CONECT   12   11                                                            
CONECT   13    8   14                                                       
CONECT   14   11   13   15                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   20                                                       
CONECT   19   20                                                            
CONECT   20   18   19   21                                                  
CONECT   21   20                                                            
MASTER        0    0    0    0    0    0    0    0   21    0   40    0
END

COMPND    HMDB0039423
HETATM    1  C1  UNL     1       5.900   0.210   1.706  1.00  0.00           C  
HETATM    2  C2  UNL     1       4.575  -0.421   1.618  1.00  0.00           C  
HETATM    3  O1  UNL     1       3.752  -0.241   2.552  1.00  0.00           O  
HETATM    4  N1  UNL     1       4.189  -1.219   0.530  1.00  0.00           N  
HETATM    5  C3  UNL     1       2.900  -1.855   0.405  1.00  0.00           C  
HETATM    6  C4  UNL     1       1.758  -0.853   0.403  1.00  0.00           C  
HETATM    7  C5  UNL     1       1.987   0.062  -0.781  1.00  0.00           C  
HETATM    8  C6  UNL     1       0.907   1.116  -0.896  1.00  0.00           C  
HETATM    9  N2  UNL     1      -0.396   0.552  -1.063  1.00  0.00           N  
HETATM   10  C7  UNL     1      -1.430   0.771  -0.113  1.00  0.00           C  
HETATM   11  O2  UNL     1      -1.191   1.483   0.907  1.00  0.00           O  
HETATM   12  C8  UNL     1      -2.768   0.195  -0.280  1.00  0.00           C  
HETATM   13  C9  UNL     1      -3.673   0.579   0.865  1.00  0.00           C  
HETATM   14  C10 UNL     1      -5.052  -0.020   0.683  1.00  0.00           C  
HETATM   15  N3  UNL     1      -5.590   0.485  -0.552  1.00  0.00           N  
HETATM   16  C11 UNL     1      -4.879  -1.490   0.580  1.00  0.00           C  
HETATM   17  O3  UNL     1      -5.183  -2.093  -0.460  1.00  0.00           O  
HETATM   18  O4  UNL     1      -4.369  -2.173   1.675  1.00  0.00           O  
HETATM   19  C12 UNL     1       1.251   1.964  -2.061  1.00  0.00           C  
HETATM   20  O5  UNL     1       0.414   2.077  -2.989  1.00  0.00           O  
HETATM   21  O6  UNL     1       2.443   2.628  -2.162  1.00  0.00           O  
HETATM   22  H1  UNL     1       5.853   1.321   1.619  1.00  0.00           H  
HETATM   23  H2  UNL     1       6.610  -0.143   0.948  1.00  0.00           H  
HETATM   24  H3  UNL     1       6.347  -0.008   2.698  1.00  0.00           H  
HETATM   25  H4  UNL     1       4.886  -1.365  -0.250  1.00  0.00           H  
HETATM   26  H5  UNL     1       2.856  -2.516  -0.466  1.00  0.00           H  
HETATM   27  H6  UNL     1       2.759  -2.481   1.315  1.00  0.00           H  
HETATM   28  H7  UNL     1       1.767  -0.223   1.312  1.00  0.00           H  
HETATM   29  H8  UNL     1       0.827  -1.425   0.323  1.00  0.00           H  
HETATM   30  H9  UNL     1       2.106  -0.511  -1.723  1.00  0.00           H  
HETATM   31  H10 UNL     1       2.940   0.603  -0.618  1.00  0.00           H  
HETATM   32  H11 UNL     1       0.960   1.714   0.046  1.00  0.00           H  
HETATM   33  H12 UNL     1      -0.605  -0.036  -1.898  1.00  0.00           H  
HETATM   34  H13 UNL     1      -2.668  -0.927  -0.237  1.00  0.00           H  
HETATM   35  H14 UNL     1      -3.225   0.474  -1.244  1.00  0.00           H  
HETATM   36  H15 UNL     1      -3.762   1.662   0.964  1.00  0.00           H  
HETATM   37  H16 UNL     1      -3.200   0.205   1.809  1.00  0.00           H  
HETATM   38  H17 UNL     1      -5.697   0.174   1.551  1.00  0.00           H  
HETATM   39  H18 UNL     1      -6.613   0.328  -0.541  1.00  0.00           H  
HETATM   40  H19 UNL     1      -5.209  -0.115  -1.332  1.00  0.00           H  
HETATM   41  H20 UNL     1      -4.914  -2.125   2.527  1.00  0.00           H  
HETATM   42  H21 UNL     1       2.434   3.634  -2.149  1.00  0.00           H  
CONECT    1    2   22   23   24
CONECT    2    3    3    4
CONECT    4    5   25
CONECT    5    6   26   27
CONECT    6    7   28   29
CONECT    7    8   30   31
CONECT    8    9   19   32
CONECT    9   10   33
CONECT   10   11   11   12
CONECT   12   13   34   35
CONECT   13   14   36   37
CONECT   14   15   16   38
CONECT   15   39   40
CONECT   16   17   17   18
CONECT   18   41
CONECT   19   20   20   21
CONECT   21   42
END

HMDB0039423
     RDKit          3D
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine
 42 41  0  0  0  0  0  0  0  0999 V2000
    5.9002    0.2096    1.7056 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5749   -0.4206    1.6185 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7524   -0.2408    2.5521 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1888   -1.2186    0.5302 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9005   -1.8546    0.4049 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7576   -0.8526    0.4025 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9873    0.0619   -0.7807 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9066    1.1159   -0.8960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3962    0.5521   -1.0633 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4295    0.7712   -0.1132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1906    1.4833    0.9066 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7676    0.1952   -0.2798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6730    0.5795    0.8645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0520   -0.0202    0.6830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5897    0.4851   -0.5524 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8788   -1.4900    0.5800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1827   -2.0931   -0.4598 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3685   -2.1732    1.6749 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2508    1.9644   -2.0612 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4143    2.0769   -2.9892 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4435    2.6278   -2.1623 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8535    1.3214    1.6191 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6104   -0.1430    0.9482 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3467   -0.0079    2.6981 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8856   -1.3648   -0.2502 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8561   -2.5157   -0.4660 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7589   -2.4813    1.3146 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7665   -0.2234    1.3124 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8268   -1.4247    0.3231 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1064   -0.5113   -1.7230 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9403    0.6034   -0.6175 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9596    1.7139    0.0456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6054   -0.0357   -1.8982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6676   -0.9273   -0.2367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2248    0.4737   -1.2435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7622    1.6621    0.9636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2004    0.2053    1.8085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6966    0.1742    1.5509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6128    0.3275   -0.5411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2090   -0.1150   -1.3322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9139   -2.1249    2.5271 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4337    3.6342   -2.1486 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  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  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 16 18  1  0
  8 19  1  0
 19 20  2  0
 19 21  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  4 25  1  0
  5 26  1  0
  5 27  1  0
  6 28  1  0
  6 29  1  0
  7 30  1  0
  7 31  1  0
  8 32  1  0
  9 33  1  0
 12 34  1  0
 12 35  1  0
 13 36  1  0
 13 37  1  0
 14 38  1  0
 15 39  1  0
 15 40  1  0
 18 41  1  0
 21 42  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
N5-Acetyl-N2-g-L-glutamyl-L-ornithine	Generator
N5-Acetyl-N2-γ-L-glutamyl-L-ornithine	Generator
N5-Acetyl-N2-g-glutamylornithine, 9ci	HMDB
2-Amino-4-({1-carboxy-4-[(1-hydroxyethylidene)amino]butyl}-C-hydroxycarbonimidoyl)butanoate	HMDB

Chemical Formula

C₁₂H₂₁N₃O₆

Average Molecular Weight

303.3116

Monoisotopic Molecular Weight

303.143035419

IUPAC Name

2-amino-4-[(1-carboxy-4-acetamidobutyl)carbamoyl]butanoic acid

Traditional Name

2-amino-4-[(1-carboxy-4-acetamidobutyl)carbamoyl]butanoic acid

CAS Registry Number

102148-92-5

SMILES

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

InChI Identifier

InChI=1S/C12H21N3O6/c1-7(16)14-6-2-3-9(12(20)21)15-10(17)5-4-8(13)11(18)19/h8-9H,2-6,13H2,1H3,(H,14,16)(H,15,17)(H,18,19)(H,20,21)

InChI Key

JAAJGIIASALJIT-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Dipeptides

Alternative Parents

Substituents

Alpha-dipeptide
Gamma-glutamyl alpha-amino acid
Glutamine or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid
Alpha-amino acid or derivatives
N-acyl-amine
Fatty amide
Fatty acyl
Fatty acid
Dicarboxylic acid or derivatives
Acetamide
Amino acid or derivatives
Amino acid
Carboxamide group
Secondary carboxylic acid amide
Carboxylic acid
Organic nitrogen compound
Primary aliphatic amine
Organonitrogen compound
Organooxygen compound
Primary amine
Hydrocarbon derivative
Organic oxide
Carbonyl group
Organopnictogen compound
Amine
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

Extracellular (HMDB: HMDB0039423)
Cytoplasm (HMDB: HMDB0039423)

Pulses (FooDB: FOOD00867)

Process

Not Available

Role

Not Available

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	3.27 g/L	ALOGPS
logP	-3.2	ALOGPS
logP	-4.6	ChemAxon
logS	-2	ALOGPS
pKa (Strongest Acidic)	1.89	ChemAxon
pKa (Strongest Basic)	9.31	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	158.82 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	70.74 m³·mol⁻¹	ChemAxon
Polarizability	30.21 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	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]+	171.762	31661259
DarkChem	[M-H]-	162.528	31661259
DeepCCS	[M+H]+	167.424	30932474
DeepCCS	[M-H]-	165.066	30932474
DeepCCS	[M-2H]-	197.952	30932474
DeepCCS	[M+Na]+	173.517	30932474
AllCCS	[M+H]+	167.4	32859911
AllCCS	[M+H-H2O]+	164.7	32859911
AllCCS	[M+NH4]+	169.9	32859911
AllCCS	[M+Na]+	170.7	32859911
AllCCS	[M-H]-	170.5	32859911
AllCCS	[M+Na-2H]-	170.8	32859911
AllCCS	[M+HCOO]-	171.2	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine	CC(=O)NCCCC(NC(=O)CCC(N)C(O)=O)C(O)=O	3846.8	Standard polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine	CC(=O)NCCCC(NC(=O)CCC(N)C(O)=O)C(O)=O	2484.3	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine	CC(=O)NCCCC(NC(=O)CCC(N)C(O)=O)C(O)=O	3110.7	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,1TMS,isomer #1	CC(=O)NCCCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C)C(=O)O	2736.4	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,1TMS,isomer #2	CC(=O)NCCCC(NC(=O)CCC(N)C(=O)O)C(=O)O[Si](C)(C)C	2749.8	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,1TMS,isomer #3	CC(=O)NCCCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O)C(=O)O	2840.9	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,1TMS,isomer #4	CC(=O)N(CCCC(NC(=O)CCC(N)C(=O)O)C(=O)O)[Si](C)(C)C	2801.1	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,1TMS,isomer #5	CC(=O)NCCCC(C(=O)O)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C	2762.6	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,2TMS,isomer #1	CC(=O)NCCCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2753.9	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,2TMS,isomer #10	CC(=O)NCCCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2982.5	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,2TMS,isomer #11	CC(=O)N(CCCC(C(=O)O)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	2756.5	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,2TMS,isomer #2	CC(=O)NCCCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	2834.1	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,2TMS,isomer #3	CC(=O)N(CCCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2770.5	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,2TMS,isomer #4	CC(=O)NCCCC(C(=O)O)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2729.1	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,2TMS,isomer #5	CC(=O)NCCCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C	2840.8	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,2TMS,isomer #6	CC(=O)N(CCCC(NC(=O)CCC(N)C(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2775.7	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,2TMS,isomer #7	CC(=O)NCCCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C	2744.8	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,2TMS,isomer #8	CC(=O)N(CCCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O)C(=O)O)[Si](C)(C)C	2887.9	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,2TMS,isomer #9	CC(=O)NCCCC(C(=O)O)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2833.1	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,3TMS,isomer #1	CC(=O)NCCCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2813.2	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,3TMS,isomer #1	CC(=O)NCCCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2715.7	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,3TMS,isomer #10	CC(=O)NCCCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2980.8	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,3TMS,isomer #10	CC(=O)NCCCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2788.6	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,3TMS,isomer #11	CC(=O)N(CCCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	2744.3	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,3TMS,isomer #11	CC(=O)N(CCCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	2725.2	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,3TMS,isomer #12	CC(=O)N(CCCC(C(=O)O)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	2790.1	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,3TMS,isomer #12	CC(=O)N(CCCC(C(=O)O)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	2777.2	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,3TMS,isomer #13	CC(=O)N(CCCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3003.3	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,3TMS,isomer #13	CC(=O)N(CCCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2804.7	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,3TMS,isomer #14	CC(=O)NCCCC(C(=O)O)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2938.7	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,3TMS,isomer #14	CC(=O)NCCCC(C(=O)O)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2837.5	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,3TMS,isomer #2	CC(=O)N(CCCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2744.1	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,3TMS,isomer #2	CC(=O)N(CCCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2697.6	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,3TMS,isomer #3	CC(=O)NCCCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2712.4	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,3TMS,isomer #3	CC(=O)NCCCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2693.0	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,3TMS,isomer #4	CC(=O)N(CCCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2822.3	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,3TMS,isomer #4	CC(=O)N(CCCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2736.9	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,3TMS,isomer #5	CC(=O)NCCCC(C(=O)O)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2777.5	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,3TMS,isomer #5	CC(=O)NCCCC(C(=O)O)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2764.3	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,3TMS,isomer #6	CC(=O)NCCCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2967.0	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,3TMS,isomer #6	CC(=O)NCCCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2775.9	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,3TMS,isomer #7	CC(=O)N(CCCC(C(=O)O)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2719.8	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,3TMS,isomer #7	CC(=O)N(CCCC(C(=O)O)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2730.9	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,3TMS,isomer #8	CC(=O)N(CCCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2818.8	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,3TMS,isomer #8	CC(=O)N(CCCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2714.9	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,3TMS,isomer #9	CC(=O)NCCCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2796.6	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,3TMS,isomer #9	CC(=O)NCCCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2725.4	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,4TMS,isomer #1	CC(=O)N(CCCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2776.2	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,4TMS,isomer #1	CC(=O)N(CCCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2757.2	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,4TMS,isomer #10	CC(=O)NCCCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2929.8	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,4TMS,isomer #10	CC(=O)NCCCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2848.0	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,4TMS,isomer #11	CC(=O)N(CCCC(C(=O)O)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2948.7	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,4TMS,isomer #11	CC(=O)N(CCCC(C(=O)O)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2889.8	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,4TMS,isomer #2	CC(=O)NCCCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2738.1	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,4TMS,isomer #2	CC(=O)NCCCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2768.4	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,4TMS,isomer #3	CC(=O)NCCCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2937.5	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,4TMS,isomer #3	CC(=O)NCCCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2804.8	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,4TMS,isomer #4	CC(=O)N(CCCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2691.8	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,4TMS,isomer #4	CC(=O)N(CCCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2744.9	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,4TMS,isomer #5	CC(=O)N(CCCC(C(=O)O)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2743.9	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,4TMS,isomer #5	CC(=O)N(CCCC(C(=O)O)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2806.0	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,4TMS,isomer #6	CC(=O)N(CCCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2970.1	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,4TMS,isomer #6	CC(=O)N(CCCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2825.5	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,4TMS,isomer #7	CC(=O)NCCCC(C(=O)O)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2922.8	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,4TMS,isomer #7	CC(=O)NCCCC(C(=O)O)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2851.6	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,4TMS,isomer #8	CC(=O)N(CCCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	2770.8	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,4TMS,isomer #8	CC(=O)N(CCCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	2775.4	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,4TMS,isomer #9	CC(=O)N(CCCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2969.0	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,4TMS,isomer #9	CC(=O)N(CCCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2836.3	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,5TMS,isomer #1	CC(=O)N(CCCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2725.4	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,5TMS,isomer #1	CC(=O)N(CCCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2817.1	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,5TMS,isomer #2	CC(=O)N(CCCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2923.8	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,5TMS,isomer #2	CC(=O)N(CCCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2843.6	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,5TMS,isomer #3	CC(=O)NCCCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2890.3	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,5TMS,isomer #3	CC(=O)NCCCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2862.9	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,5TMS,isomer #4	CC(=O)N(CCCC(C(=O)O)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2949.1	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,5TMS,isomer #4	CC(=O)N(CCCC(C(=O)O)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2896.6	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,5TMS,isomer #5	CC(=O)N(CCCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2945.7	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,5TMS,isomer #5	CC(=O)N(CCCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2894.6	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,6TMS,isomer #1	CC(=O)N(CCCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2930.8	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,6TMS,isomer #1	CC(=O)N(CCCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2912.4	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,1TBDMS,isomer #1	CC(=O)NCCCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3024.6	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,1TBDMS,isomer #2	CC(=O)NCCCC(NC(=O)CCC(N)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3036.1	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,1TBDMS,isomer #3	CC(=O)NCCCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O	3088.8	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,1TBDMS,isomer #4	CC(=O)N(CCCC(NC(=O)CCC(N)C(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3036.4	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,1TBDMS,isomer #5	CC(=O)NCCCC(C(=O)O)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C	3026.2	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,2TBDMS,isomer #1	CC(=O)NCCCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3258.1	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,2TBDMS,isomer #10	CC(=O)NCCCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3422.1	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,2TBDMS,isomer #11	CC(=O)N(CCCC(C(=O)O)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3238.4	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,2TBDMS,isomer #2	CC(=O)NCCCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3305.6	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,2TBDMS,isomer #3	CC(=O)N(CCCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3250.6	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,2TBDMS,isomer #4	CC(=O)NCCCC(C(=O)O)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3225.0	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,2TBDMS,isomer #5	CC(=O)NCCCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3315.8	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,2TBDMS,isomer #6	CC(=O)N(CCCC(NC(=O)CCC(N)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3257.4	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,2TBDMS,isomer #7	CC(=O)NCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C	3237.5	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,2TBDMS,isomer #8	CC(=O)N(CCCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3345.0	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,2TBDMS,isomer #9	CC(=O)NCCCC(C(=O)O)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3305.6	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,3TBDMS,isomer #1	CC(=O)NCCCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3495.6	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,3TBDMS,isomer #1	CC(=O)NCCCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3256.9	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,3TBDMS,isomer #10	CC(=O)NCCCC(NC(=O)CCC(C(=O)O)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	3632.6	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,3TBDMS,isomer #10	CC(=O)NCCCC(NC(=O)CCC(C(=O)O)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	3282.6	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,3TBDMS,isomer #11	CC(=O)N(CCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3415.1	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,3TBDMS,isomer #11	CC(=O)N(CCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3252.6	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,3TBDMS,isomer #12	CC(=O)N(CCCC(C(=O)O)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3506.1	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,3TBDMS,isomer #12	CC(=O)N(CCCC(C(=O)O)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3250.7	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,3TBDMS,isomer #13	CC(=O)N(CCCC(NC(=O)CCC(C(=O)O)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	3635.8	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,3TBDMS,isomer #13	CC(=O)N(CCCC(NC(=O)CCC(C(=O)O)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	3295.6	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,3TBDMS,isomer #14	CC(=O)NCCCC(C(=O)O)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3625.9	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,3TBDMS,isomer #14	CC(=O)NCCCC(C(=O)O)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3290.0	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,3TBDMS,isomer #2	CC(=O)N(CCCC(NC(=O)CCC(N)C(=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	3444.6	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,3TBDMS,isomer #2	CC(=O)N(CCCC(NC(=O)CCC(N)C(=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	3241.3	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,3TBDMS,isomer #3	CC(=O)NCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3442.4	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,3TBDMS,isomer #3	CC(=O)NCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3236.5	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,3TBDMS,isomer #4	CC(=O)N(CCCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3512.2	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,3TBDMS,isomer #4	CC(=O)N(CCCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3258.7	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,3TBDMS,isomer #5	CC(=O)NCCCC(C(=O)O)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3483.2	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,3TBDMS,isomer #5	CC(=O)NCCCC(C(=O)O)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3254.3	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,3TBDMS,isomer #6	CC(=O)NCCCC(NC(=O)CCC(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)C(=O)O	3636.2	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,3TBDMS,isomer #6	CC(=O)NCCCC(NC(=O)CCC(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)C(=O)O	3299.1	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,3TBDMS,isomer #7	CC(=O)N(CCCC(C(=O)O)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3417.0	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,3TBDMS,isomer #7	CC(=O)N(CCCC(C(=O)O)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3232.8	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,3TBDMS,isomer #8	CC(=O)N(CCCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3524.2	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,3TBDMS,isomer #8	CC(=O)N(CCCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3244.7	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,3TBDMS,isomer #9	CC(=O)NCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3502.4	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,3TBDMS,isomer #9	CC(=O)NCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3247.5	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,4TBDMS,isomer #1	CC(=O)N(CCCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=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	3661.6	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,4TBDMS,isomer #1	CC(=O)N(CCCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=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	3414.8	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,4TBDMS,isomer #10	CC(=O)NCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3814.9	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,4TBDMS,isomer #10	CC(=O)NCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3465.3	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,4TBDMS,isomer #11	CC(=O)N(CCCC(C(=O)O)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3815.3	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,4TBDMS,isomer #11	CC(=O)N(CCCC(C(=O)O)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3475.6	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,4TBDMS,isomer #2	CC(=O)NCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3656.2	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,4TBDMS,isomer #2	CC(=O)NCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3424.2	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,4TBDMS,isomer #3	CC(=O)NCCCC(NC(=O)CCC(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)C(=O)O[Si](C)(C)C(C)(C)C	3834.1	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,4TBDMS,isomer #3	CC(=O)NCCCC(NC(=O)CCC(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)C(=O)O[Si](C)(C)C(C)(C)C	3467.1	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,4TBDMS,isomer #4	CC(=O)N(CCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3604.8	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,4TBDMS,isomer #4	CC(=O)N(CCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3417.0	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,4TBDMS,isomer #5	CC(=O)N(CCCC(C(=O)O)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3644.1	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,4TBDMS,isomer #5	CC(=O)N(CCCC(C(=O)O)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3425.8	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,4TBDMS,isomer #6	CC(=O)N(CCCC(NC(=O)CCC(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)C(=O)O)[Si](C)(C)C(C)(C)C	3826.3	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,4TBDMS,isomer #6	CC(=O)N(CCCC(NC(=O)CCC(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)C(=O)O)[Si](C)(C)C(C)(C)C	3485.3	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,4TBDMS,isomer #7	CC(=O)NCCCC(C(=O)O)N(C(=O)CCC(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)[Si](C)(C)C(C)(C)C	3821.5	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,4TBDMS,isomer #7	CC(=O)NCCCC(C(=O)O)N(C(=O)CCC(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)[Si](C)(C)C(C)(C)C	3475.0	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,4TBDMS,isomer #8	CC(=O)N(CCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3665.0	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,4TBDMS,isomer #8	CC(=O)N(CCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3422.5	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,4TBDMS,isomer #9	CC(=O)N(CCCC(NC(=O)CCC(C(=O)O)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)[Si](C)(C)C(C)(C)C	3822.2	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,4TBDMS,isomer #9	CC(=O)N(CCCC(NC(=O)CCC(C(=O)O)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)[Si](C)(C)C(C)(C)C	3457.6	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,5TBDMS,isomer #1	CC(=O)N(CCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3806.7	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,5TBDMS,isomer #1	CC(=O)N(CCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3585.2	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,5TBDMS,isomer #2	CC(=O)N(CCCC(NC(=O)CCC(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)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4009.8	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,5TBDMS,isomer #2	CC(=O)N(CCCC(NC(=O)CCC(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)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3627.9	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,5TBDMS,isomer #3	CC(=O)NCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(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)[Si](C)(C)C(C)(C)C	4008.4	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,5TBDMS,isomer #3	CC(=O)NCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(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)[Si](C)(C)C(C)(C)C	3637.7	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,5TBDMS,isomer #4	CC(=O)N(CCCC(C(=O)O)N(C(=O)CCC(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)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4011.6	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,5TBDMS,isomer #4	CC(=O)N(CCCC(C(=O)O)N(C(=O)CCC(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)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3649.0	Standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,5TBDMS,isomer #5	CC(=O)N(CCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4007.9	Semi standard non polar	33892256
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine,5TBDMS,isomer #5	CC(=O)N(CCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3643.0	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine GC-MS (Non-derivatized) - 70eV, Positive	splash10-007o-9670000000-0ddcec3141a10d468c10	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine GC-MS (2 TMS) - 70eV, Positive	splash10-00ec-9334100000-377d76a4d36f92c3de2a	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine 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 - N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine 10V, Positive-QTOF	splash10-0pbi-0291000000-436aedda12f01a1c9db7	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine 20V, Positive-QTOF	splash10-07xs-1590000000-86c35dde30da0b650715	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine 40V, Positive-QTOF	splash10-0apj-7910000000-17a38c75cdc0783a3145	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine 10V, Negative-QTOF	splash10-0zgi-0195000000-085fe707aad5987bc42f	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine 20V, Negative-QTOF	splash10-0a4i-3491000000-846b98539df581d280b5	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine 40V, Negative-QTOF	splash10-0a4l-9300000000-e5f7a7415a14b2bcb221	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine 10V, Negative-QTOF	splash10-0udi-0029000000-cfa5c37030de5d4aacf2	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine 20V, Negative-QTOF	splash10-0pb9-9653000000-fc53f230ca793d9d30a3	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine 40V, Negative-QTOF	splash10-0a4i-9300000000-fcca0269f8f66b8a324c	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine 10V, Positive-QTOF	splash10-0udi-0289000000-d44668d9b17eb94c30ce	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine 20V, Positive-QTOF	splash10-00nb-1940000000-6551ab7587b218f0a011	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine 40V, Positive-QTOF	splash10-0pwa-5900000000-fb04b08edebf36f2616b	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	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

FDB019016

KNApSAcK ID

C00054882

Chemspider ID

35014796

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

131752643

PDB ID

Not Available

ChEBI ID

168581

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 N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine (HMDB0039423)

MOL for HMDB0039423 (N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine)

3D MOL for HMDB0039423 (N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine)

3D SDF for HMDB0039423 (N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine)

3D-SDF for HMDB0039423 (N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine)

PDB for HMDB0039423 (N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine)

3D PDB for HMDB0039423 (N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine)

SMILES for HMDB0039423 (N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine)

INCHI for HMDB0039423 (N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine)

Structure for HMDB0039423 (N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine)

3D Structure for HMDB0039423 (N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra