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Showing metabocard for D-Citrulline (HMDB0250742)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 07:50:49 UTC
Update Date2021-09-26 23:02:22 UTC
HMDB IDHMDB0250742
Secondary Accession NumbersNone
Metabolite Identification
Common NameD-Citrulline
DescriptionCitrullin, also known as Cit, belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). Citrullin is found, on average, in the highest concentration within beer. Citrullin has also been detected, but not quantified in, several different foods, such as cow milk, cow milk, yellow bell peppers (Capsicum annuum), cow milk, and orange bell peppers (Capsicum annuum). This could make citrullin a potential biomarker for the consumption of these foods. Citrullin is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review a significant number of articles have been published on Citrullin. This compound has been identified in human blood as reported by (PMID: 31557052 ). D-citrulline is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically D-Citrulline is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0250742 (D-Citrulline)


  Mrv1652312191915512D          

 12 11  0  0  1  0            999 V2000
   -0.7145    0.2291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.2291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.2291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.2291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  3 10  2  0  0  0  0
  4 11  2  0  0  0  0
  4  5  1  0  0  0  0
  5 12  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  1  8  1  0  0  0  0
  7  8  1  0  0  0  0
  9  4  1  0  0  0  0
M  END
Download

3D MOL for HMDB0250742 (D-Citrulline)

HMDB0250742
     RDKit          3D
D-Citrulline
 25 24  0  0  0  0  0  0  0  0999 V2000
    3.6599   -0.1422    1.1006 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5758    0.5321    0.5061 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0189    1.4789    1.1427 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1213    0.1572   -0.7747 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0190    0.8112   -1.4280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2778    0.7165   -0.6516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6249   -0.7337   -0.4868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8949   -0.9713    0.2693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0004   -0.3524   -0.4139 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8157   -0.5822    1.6926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9669   -0.9690    2.4970 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7909    0.3003    2.1584 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5578   -0.2872    0.5581 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6588   -0.5286    2.0690 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5983   -0.6196   -1.2669 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8987    0.4568   -2.4768 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2485    1.9163   -1.4846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1433    1.2329    0.3022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0497    1.2153   -1.2908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7596   -1.1584   -1.5038 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2189   -1.2775   -0.0313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0826   -2.0722    0.2514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8837    0.6576   -0.5935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3404   -0.9030   -1.2298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9450    1.1224    1.5680 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
  8 10  1  0
 10 11  2  0
 10 12  1  0
  1 13  1  0
  1 14  1  0
  4 15  1  0
  5 16  1  0
  5 17  1  0
  6 18  1  0
  6 19  1  0
  7 20  1  0
  7 21  1  0
  8 22  1  0
  9 23  1  0
  9 24  1  0
 12 25  1  0
M  END
Download

3D SDF for HMDB0250742 (D-Citrulline)


  Mrv1652312191915512D          

 12 11  0  0  1  0            999 V2000
   -0.7145    0.2291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.2291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.2291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.2291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  3 10  2  0  0  0  0
  4 11  2  0  0  0  0
  4  5  1  0  0  0  0
  5 12  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  1  8  1  0  0  0  0
  7  8  1  0  0  0  0
  9  4  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0250742

> <DATABASE_NAME>
hmdb

> <SMILES>
NC(CCCNC(N)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)

> <INCHI_KEY>
RHGKLRLOHDJJDR-UHFFFAOYSA-N

> <FORMULA>
C6H13N3O3

> <MOLECULAR_WEIGHT>
175.1857

> <EXACT_MASS>
175.095691297

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
25

> <JCHEM_AVERAGE_POLARIZABILITY>
17.477842196649426

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-amino-5-[(C-hydroxycarbonimidoyl)amino]pentanoic acid

> <ALOGPS_LOGP>
-3.27

> <JCHEM_LOGP>
-4.646038966236998

> <ALOGPS_LOGS>
-0.90

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
2.3460063714440826

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.011842292090965323

> <JCHEM_PKA_STRONGEST_BASIC>
15.000000729773431

> <JCHEM_POLAR_SURFACE_AREA>
119.43

> <JCHEM_REFRACTIVITY>
52.2656

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.18e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-amino-5-(C-hydroxycarbonimidoylamino)pentanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0250742 (D-Citrulline)

HMDB0250742
     RDKit          3D
D-Citrulline
 25 24  0  0  0  0  0  0  0  0999 V2000
    3.6599   -0.1422    1.1006 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5758    0.5321    0.5061 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0189    1.4789    1.1427 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1213    0.1572   -0.7747 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0190    0.8112   -1.4280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2778    0.7165   -0.6516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6249   -0.7337   -0.4868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8949   -0.9713    0.2693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0004   -0.3524   -0.4139 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8157   -0.5822    1.6926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9669   -0.9690    2.4970 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7909    0.3003    2.1584 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5578   -0.2872    0.5581 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6588   -0.5286    2.0690 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5983   -0.6196   -1.2669 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8987    0.4568   -2.4768 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2485    1.9163   -1.4846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1433    1.2329    0.3022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0497    1.2153   -1.2908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7596   -1.1584   -1.5038 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2189   -1.2775   -0.0313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0826   -2.0722    0.2514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8837    0.6576   -0.5935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3404   -0.9030   -1.2298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9450    1.1224    1.5680 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
  8 10  1  0
 10 11  2  0
 10 12  1  0
  1 13  1  0
  1 14  1  0
  4 15  1  0
  5 16  1  0
  5 17  1  0
  6 18  1  0
  6 19  1  0
  7 20  1  0
  7 21  1  0
  8 22  1  0
  9 23  1  0
  9 24  1  0
 12 25  1  0
M  END
Download

PDB for HMDB0250742 (D-Citrulline)

HEADER    PROTEIN                                 19-DEC-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-DEC-19         0                                  
HETATM    1  C   UNK     0      -1.334   0.428   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0      -2.667  -0.342   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0      -4.001   0.428   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.001   0.428   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.667  -0.342   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0      -5.335  -0.342   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0       1.334   0.428   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.000  -0.342   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       5.335  -0.342   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      -4.001   1.968   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0       4.001   1.968   0.000  0.00  0.00           O+0
HETATM   12  N   UNK     0       2.667  -1.882   0.000  0.00  0.00           N+0
CONECT    1    2    8                                                       
CONECT    2    1    3                                                       
CONECT    3    2   10    6                                                  
CONECT    4   11    5    9                                                  
CONECT    5    4   12    7                                                  
CONECT    6    3                                                            
CONECT    7    5    8                                                       
CONECT    8    1    7                                                       
CONECT    9    4                                                            
CONECT   10    3                                                            
CONECT   11    4                                                            
CONECT   12    5                                                            
MASTER        0    0    0    0    0    0    0    0   12    0   22    0
END
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3D PDB for HMDB0250742 (D-Citrulline)

COMPND    HMDB0250742
HETATM    1  N1  UNL     1       3.660  -0.142   1.101  1.00  0.00           N  
HETATM    2  C1  UNL     1       2.576   0.532   0.506  1.00  0.00           C  
HETATM    3  O1  UNL     1       2.019   1.479   1.143  1.00  0.00           O  
HETATM    4  N2  UNL     1       2.121   0.157  -0.775  1.00  0.00           N  
HETATM    5  C2  UNL     1       1.019   0.811  -1.428  1.00  0.00           C  
HETATM    6  C3  UNL     1      -0.278   0.716  -0.652  1.00  0.00           C  
HETATM    7  C4  UNL     1      -0.625  -0.734  -0.487  1.00  0.00           C  
HETATM    8  C5  UNL     1      -1.895  -0.971   0.269  1.00  0.00           C  
HETATM    9  N3  UNL     1      -3.000  -0.352  -0.414  1.00  0.00           N  
HETATM   10  C6  UNL     1      -1.816  -0.582   1.693  1.00  0.00           C  
HETATM   11  O2  UNL     1      -0.967  -0.969   2.497  1.00  0.00           O  
HETATM   12  O3  UNL     1      -2.791   0.300   2.158  1.00  0.00           O  
HETATM   13  H1  UNL     1       4.558  -0.287   0.558  1.00  0.00           H  
HETATM   14  H2  UNL     1       3.659  -0.529   2.069  1.00  0.00           H  
HETATM   15  H3  UNL     1       2.598  -0.620  -1.267  1.00  0.00           H  
HETATM   16  H4  UNL     1       0.899   0.457  -2.477  1.00  0.00           H  
HETATM   17  H5  UNL     1       1.248   1.916  -1.485  1.00  0.00           H  
HETATM   18  H6  UNL     1      -0.143   1.233   0.302  1.00  0.00           H  
HETATM   19  H7  UNL     1      -1.050   1.215  -1.291  1.00  0.00           H  
HETATM   20  H8  UNL     1      -0.760  -1.158  -1.504  1.00  0.00           H  
HETATM   21  H9  UNL     1       0.219  -1.278  -0.031  1.00  0.00           H  
HETATM   22  H10 UNL     1      -2.083  -2.072   0.251  1.00  0.00           H  
HETATM   23  H11 UNL     1      -2.884   0.658  -0.593  1.00  0.00           H  
HETATM   24  H12 UNL     1      -3.340  -0.903  -1.230  1.00  0.00           H  
HETATM   25  H13 UNL     1      -2.945   1.122   1.568  1.00  0.00           H  
CONECT    1    2   13   14
CONECT    2    3    3    4
CONECT    4    5   15
CONECT    5    6   16   17
CONECT    6    7   18   19
CONECT    7    8   20   21
CONECT    8    9   10   22
CONECT    9   23   24
CONECT   10   11   11   12
CONECT   12   25
END
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SMILES for HMDB0250742 (D-Citrulline)

NC(CCCNC(N)=O)C(O)=O
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INCHI for HMDB0250742 (D-Citrulline)

InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)
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View in JSmolView Stereo Labels
Synonyms
ValueSource
2-Amino-5-uredovaleric acidChEBI
CitChEBI
CitrulinaChEBI
DL-2-Amino-5-ureidovaleric acidChEBI
DL-CitrullineChEBI
N(5)-(Aminocarbonyl)-DL-ornithineChEBI
N(5)-(Aminocarbonyl)ornithineChEBI
N(5)-Carbamoyl-DL-ornithineChEBI
2-Amino-5-uredovalerateGenerator
DL-2-Amino-5-ureidovalerateGenerator
Chemical FormulaC6H13N3O3
Average Molecular Weight175.1857
Monoisotopic Molecular Weight175.095691297
IUPAC Name2-amino-5-[(C-hydroxycarbonimidoyl)amino]pentanoic acid
Traditional Name2-amino-5-(C-hydroxycarbonimidoylamino)pentanoic acid
CAS Registry NumberNot Available
SMILES
NC(CCCNC(N)=O)C(O)=O
InChI Identifier
InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)
InChI KeyRHGKLRLOHDJJDR-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentAlpha amino acids
Alternative Parents
Substituents
  • Alpha-amino acid
  • Fatty acid
  • Carbonic acid derivative
  • Amino acid
  • Urea
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Organic oxide
  • Organopnictogen compound
  • Primary aliphatic amine
  • Organic oxygen compound
  • Carbonyl group
  • Amine
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological location
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP-3.3ALOGPS
logP-4.6ChemAxon
logS-0.9ALOGPS
pKa (Strongest Acidic)0.012ChemAxon
pKa (Strongest Basic)15ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area119.43 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity52.27 m³·mol⁻¹ChemAxon
Polarizability17.48 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+130.61130932474
DeepCCS[M-H]-126.96930932474
DeepCCS[M-2H]-164.34230932474
DeepCCS[M+Na]+139.49430932474
AllCCS[M+H]+138.632859911
AllCCS[M+H-H2O]+134.832859911
AllCCS[M+NH4]+142.132859911
AllCCS[M+Na]+143.132859911
AllCCS[M-H]-135.432859911
AllCCS[M+Na-2H]-136.932859911
AllCCS[M+HCOO]-138.632859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
D-CitrullineNC(CCCNC(N)=O)C(O)=O2616.2Standard polar33892256
D-CitrullineNC(CCCNC(N)=O)C(O)=O1686.0Standard non polar33892256
D-CitrullineNC(CCCNC(N)=O)C(O)=O2277.8Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
D-Citrulline,2TMS,isomer #1C[Si](C)(C)NC(CCCNC(N)=O)C(=O)O[Si](C)(C)C2013.2Semi standard non polar33892256
D-Citrulline,2TMS,isomer #1C[Si](C)(C)NC(CCCNC(N)=O)C(=O)O[Si](C)(C)C1818.6Standard non polar33892256
D-Citrulline,2TMS,isomer #1C[Si](C)(C)NC(CCCNC(N)=O)C(=O)O[Si](C)(C)C3245.7Standard polar33892256
D-Citrulline,2TMS,isomer #2C[Si](C)(C)NC(=O)NCCCC(N)C(=O)O[Si](C)(C)C2014.6Semi standard non polar33892256
D-Citrulline,2TMS,isomer #2C[Si](C)(C)NC(=O)NCCCC(N)C(=O)O[Si](C)(C)C1812.6Standard non polar33892256
D-Citrulline,2TMS,isomer #2C[Si](C)(C)NC(=O)NCCCC(N)C(=O)O[Si](C)(C)C3135.1Standard polar33892256
D-Citrulline,2TMS,isomer #3C[Si](C)(C)OC(=O)C(N)CCCN(C(N)=O)[Si](C)(C)C1898.5Semi standard non polar33892256
D-Citrulline,2TMS,isomer #3C[Si](C)(C)OC(=O)C(N)CCCN(C(N)=O)[Si](C)(C)C1881.0Standard non polar33892256
D-Citrulline,2TMS,isomer #3C[Si](C)(C)OC(=O)C(N)CCCN(C(N)=O)[Si](C)(C)C3363.9Standard polar33892256
D-Citrulline,2TMS,isomer #4C[Si](C)(C)NC(=O)NCCCC(N[Si](C)(C)C)C(=O)O2107.5Semi standard non polar33892256
D-Citrulline,2TMS,isomer #4C[Si](C)(C)NC(=O)NCCCC(N[Si](C)(C)C)C(=O)O1784.0Standard non polar33892256
D-Citrulline,2TMS,isomer #4C[Si](C)(C)NC(=O)NCCCC(N[Si](C)(C)C)C(=O)O3086.7Standard polar33892256
D-Citrulline,2TMS,isomer #5C[Si](C)(C)N(C(CCCNC(N)=O)C(=O)O)[Si](C)(C)C2183.9Semi standard non polar33892256
D-Citrulline,2TMS,isomer #5C[Si](C)(C)N(C(CCCNC(N)=O)C(=O)O)[Si](C)(C)C1886.5Standard non polar33892256
D-Citrulline,2TMS,isomer #5C[Si](C)(C)N(C(CCCNC(N)=O)C(=O)O)[Si](C)(C)C3469.8Standard polar33892256
D-Citrulline,2TMS,isomer #6C[Si](C)(C)NC(CCCN(C(N)=O)[Si](C)(C)C)C(=O)O2063.0Semi standard non polar33892256
D-Citrulline,2TMS,isomer #6C[Si](C)(C)NC(CCCN(C(N)=O)[Si](C)(C)C)C(=O)O1903.9Standard non polar33892256
D-Citrulline,2TMS,isomer #6C[Si](C)(C)NC(CCCN(C(N)=O)[Si](C)(C)C)C(=O)O3129.2Standard polar33892256
D-Citrulline,2TMS,isomer #7C[Si](C)(C)N(C(=O)NCCCC(N)C(=O)O)[Si](C)(C)C2069.3Semi standard non polar33892256
D-Citrulline,2TMS,isomer #7C[Si](C)(C)N(C(=O)NCCCC(N)C(=O)O)[Si](C)(C)C1889.1Standard non polar33892256
D-Citrulline,2TMS,isomer #7C[Si](C)(C)N(C(=O)NCCCC(N)C(=O)O)[Si](C)(C)C3424.3Standard polar33892256
D-Citrulline,2TMS,isomer #8C[Si](C)(C)NC(=O)N(CCCC(N)C(=O)O)[Si](C)(C)C2035.3Semi standard non polar33892256
D-Citrulline,2TMS,isomer #8C[Si](C)(C)NC(=O)N(CCCC(N)C(=O)O)[Si](C)(C)C1882.2Standard non polar33892256
D-Citrulline,2TMS,isomer #8C[Si](C)(C)NC(=O)N(CCCC(N)C(=O)O)[Si](C)(C)C3302.4Standard polar33892256
D-Citrulline,3TMS,isomer #1C[Si](C)(C)NC(=O)NCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C2092.4Semi standard non polar33892256
D-Citrulline,3TMS,isomer #1C[Si](C)(C)NC(=O)NCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C1846.7Standard non polar33892256
D-Citrulline,3TMS,isomer #1C[Si](C)(C)NC(=O)NCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C2641.6Standard polar33892256
D-Citrulline,3TMS,isomer #10C[Si](C)(C)N(CCCC(N)C(=O)O)C(=O)N([Si](C)(C)C)[Si](C)(C)C2091.2Semi standard non polar33892256
D-Citrulline,3TMS,isomer #10C[Si](C)(C)N(CCCC(N)C(=O)O)C(=O)N([Si](C)(C)C)[Si](C)(C)C2059.3Standard non polar33892256
D-Citrulline,3TMS,isomer #10C[Si](C)(C)N(CCCC(N)C(=O)O)C(=O)N([Si](C)(C)C)[Si](C)(C)C2973.2Standard polar33892256
D-Citrulline,3TMS,isomer #2C[Si](C)(C)OC(=O)C(CCCNC(N)=O)N([Si](C)(C)C)[Si](C)(C)C2159.1Semi standard non polar33892256
D-Citrulline,3TMS,isomer #2C[Si](C)(C)OC(=O)C(CCCNC(N)=O)N([Si](C)(C)C)[Si](C)(C)C1933.3Standard non polar33892256
D-Citrulline,3TMS,isomer #2C[Si](C)(C)OC(=O)C(CCCNC(N)=O)N([Si](C)(C)C)[Si](C)(C)C3086.6Standard polar33892256
D-Citrulline,3TMS,isomer #3C[Si](C)(C)NC(CCCN(C(N)=O)[Si](C)(C)C)C(=O)O[Si](C)(C)C1964.8Semi standard non polar33892256
D-Citrulline,3TMS,isomer #3C[Si](C)(C)NC(CCCN(C(N)=O)[Si](C)(C)C)C(=O)O[Si](C)(C)C1922.3Standard non polar33892256
D-Citrulline,3TMS,isomer #3C[Si](C)(C)NC(CCCN(C(N)=O)[Si](C)(C)C)C(=O)O[Si](C)(C)C2860.6Standard polar33892256
D-Citrulline,3TMS,isomer #4C[Si](C)(C)OC(=O)C(N)CCCNC(=O)N([Si](C)(C)C)[Si](C)(C)C2027.9Semi standard non polar33892256
D-Citrulline,3TMS,isomer #4C[Si](C)(C)OC(=O)C(N)CCCNC(=O)N([Si](C)(C)C)[Si](C)(C)C1959.8Standard non polar33892256
D-Citrulline,3TMS,isomer #4C[Si](C)(C)OC(=O)C(N)CCCNC(=O)N([Si](C)(C)C)[Si](C)(C)C2851.6Standard polar33892256
D-Citrulline,3TMS,isomer #5C[Si](C)(C)NC(=O)N(CCCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C1979.8Semi standard non polar33892256
D-Citrulline,3TMS,isomer #5C[Si](C)(C)NC(=O)N(CCCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C1934.4Standard non polar33892256
D-Citrulline,3TMS,isomer #5C[Si](C)(C)NC(=O)N(CCCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C2808.4Standard polar33892256
D-Citrulline,3TMS,isomer #6C[Si](C)(C)NC(CCCNC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2148.1Semi standard non polar33892256
D-Citrulline,3TMS,isomer #6C[Si](C)(C)NC(CCCNC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O1944.7Standard non polar33892256
D-Citrulline,3TMS,isomer #6C[Si](C)(C)NC(CCCNC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2701.1Standard polar33892256
D-Citrulline,3TMS,isomer #7C[Si](C)(C)NC(=O)N(CCCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C2096.4Semi standard non polar33892256
D-Citrulline,3TMS,isomer #7C[Si](C)(C)NC(=O)N(CCCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C1938.2Standard non polar33892256
D-Citrulline,3TMS,isomer #7C[Si](C)(C)NC(=O)N(CCCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C2686.8Standard polar33892256
D-Citrulline,3TMS,isomer #8C[Si](C)(C)NC(=O)NCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2271.2Semi standard non polar33892256
D-Citrulline,3TMS,isomer #8C[Si](C)(C)NC(=O)NCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C1892.3Standard non polar33892256
D-Citrulline,3TMS,isomer #8C[Si](C)(C)NC(=O)NCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2798.6Standard polar33892256
D-Citrulline,3TMS,isomer #9C[Si](C)(C)N(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(N)=O2185.9Semi standard non polar33892256
D-Citrulline,3TMS,isomer #9C[Si](C)(C)N(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(N)=O2007.6Standard non polar33892256
D-Citrulline,3TMS,isomer #9C[Si](C)(C)N(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(N)=O2991.1Standard polar33892256
D-Citrulline,4TMS,isomer #1C[Si](C)(C)NC(CCCNC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2072.6Semi standard non polar33892256
D-Citrulline,4TMS,isomer #1C[Si](C)(C)NC(CCCNC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2000.1Standard non polar33892256
D-Citrulline,4TMS,isomer #1C[Si](C)(C)NC(CCCNC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2374.0Standard polar33892256
D-Citrulline,4TMS,isomer #2C[Si](C)(C)NC(=O)N(CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2044.9Semi standard non polar33892256
D-Citrulline,4TMS,isomer #2C[Si](C)(C)NC(=O)N(CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C1963.1Standard non polar33892256
D-Citrulline,4TMS,isomer #2C[Si](C)(C)NC(=O)N(CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2342.7Standard polar33892256
D-Citrulline,4TMS,isomer #3C[Si](C)(C)NC(=O)NCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2234.1Semi standard non polar33892256
D-Citrulline,4TMS,isomer #3C[Si](C)(C)NC(=O)NCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1941.2Standard non polar33892256
D-Citrulline,4TMS,isomer #3C[Si](C)(C)NC(=O)NCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2488.6Standard polar33892256
D-Citrulline,4TMS,isomer #4C[Si](C)(C)OC(=O)C(CCCN(C(N)=O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2142.9Semi standard non polar33892256
D-Citrulline,4TMS,isomer #4C[Si](C)(C)OC(=O)C(CCCN(C(N)=O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2026.8Standard non polar33892256
D-Citrulline,4TMS,isomer #4C[Si](C)(C)OC(=O)C(CCCN(C(N)=O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2803.6Standard polar33892256
D-Citrulline,4TMS,isomer #5C[Si](C)(C)OC(=O)C(N)CCCN(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2054.5Semi standard non polar33892256
D-Citrulline,4TMS,isomer #5C[Si](C)(C)OC(=O)C(N)CCCN(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2118.3Standard non polar33892256
D-Citrulline,4TMS,isomer #5C[Si](C)(C)OC(=O)C(N)CCCN(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2561.5Standard polar33892256
D-Citrulline,4TMS,isomer #6C[Si](C)(C)N(C(=O)NCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2291.1Semi standard non polar33892256
D-Citrulline,4TMS,isomer #6C[Si](C)(C)N(C(=O)NCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2056.7Standard non polar33892256
D-Citrulline,4TMS,isomer #6C[Si](C)(C)N(C(=O)NCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2520.5Standard polar33892256
D-Citrulline,4TMS,isomer #7C[Si](C)(C)NC(CCCN(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O2159.2Semi standard non polar33892256
D-Citrulline,4TMS,isomer #7C[Si](C)(C)NC(CCCN(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O2118.0Standard non polar33892256
D-Citrulline,4TMS,isomer #7C[Si](C)(C)NC(CCCN(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O2386.8Standard polar33892256
D-Citrulline,4TMS,isomer #8C[Si](C)(C)NC(=O)N(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2244.6Semi standard non polar33892256
D-Citrulline,4TMS,isomer #8C[Si](C)(C)NC(=O)N(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2040.9Standard non polar33892256
D-Citrulline,4TMS,isomer #8C[Si](C)(C)NC(=O)N(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2501.6Standard polar33892256
D-Citrulline,5TMS,isomer #1C[Si](C)(C)OC(=O)C(CCCNC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2301.5Semi standard non polar33892256
D-Citrulline,5TMS,isomer #1C[Si](C)(C)OC(=O)C(CCCNC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2098.1Standard non polar33892256
D-Citrulline,5TMS,isomer #1C[Si](C)(C)OC(=O)C(CCCNC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2276.1Standard polar33892256
D-Citrulline,5TMS,isomer #2C[Si](C)(C)NC(CCCN(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2101.7Semi standard non polar33892256
D-Citrulline,5TMS,isomer #2C[Si](C)(C)NC(CCCN(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2157.7Standard non polar33892256
D-Citrulline,5TMS,isomer #2C[Si](C)(C)NC(CCCN(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2117.8Standard polar33892256
D-Citrulline,5TMS,isomer #3C[Si](C)(C)NC(=O)N(CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2254.2Semi standard non polar33892256
D-Citrulline,5TMS,isomer #3C[Si](C)(C)NC(=O)N(CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2068.6Standard non polar33892256
D-Citrulline,5TMS,isomer #3C[Si](C)(C)NC(=O)N(CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2263.3Standard polar33892256
D-Citrulline,5TMS,isomer #4C[Si](C)(C)N(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N([Si](C)(C)C)[Si](C)(C)C2332.1Semi standard non polar33892256
D-Citrulline,5TMS,isomer #4C[Si](C)(C)N(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N([Si](C)(C)C)[Si](C)(C)C2242.6Standard non polar33892256
D-Citrulline,5TMS,isomer #4C[Si](C)(C)N(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N([Si](C)(C)C)[Si](C)(C)C2268.4Standard polar33892256
D-Citrulline,6TMS,isomer #1C[Si](C)(C)OC(=O)C(CCCN(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2368.1Semi standard non polar33892256
D-Citrulline,6TMS,isomer #1C[Si](C)(C)OC(=O)C(CCCN(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2258.1Standard non polar33892256
D-Citrulline,6TMS,isomer #1C[Si](C)(C)OC(=O)C(CCCN(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2098.0Standard polar33892256
D-Citrulline,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CCCNC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C2472.7Semi standard non polar33892256
D-Citrulline,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CCCNC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C2243.5Standard non polar33892256
D-Citrulline,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CCCNC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C3192.4Standard polar33892256
D-Citrulline,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=O)NCCCC(N)C(=O)O[Si](C)(C)C(C)(C)C2481.1Semi standard non polar33892256
D-Citrulline,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=O)NCCCC(N)C(=O)O[Si](C)(C)C(C)(C)C2229.9Standard non polar33892256
D-Citrulline,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=O)NCCCC(N)C(=O)O[Si](C)(C)C(C)(C)C3045.0Standard polar33892256
D-Citrulline,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCN(C(N)=O)[Si](C)(C)C(C)(C)C2388.2Semi standard non polar33892256
D-Citrulline,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCN(C(N)=O)[Si](C)(C)C(C)(C)C2307.0Standard non polar33892256
D-Citrulline,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCN(C(N)=O)[Si](C)(C)C(C)(C)C3354.8Standard polar33892256
D-Citrulline,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(=O)NCCCC(N[Si](C)(C)C(C)(C)C)C(=O)O2594.4Semi standard non polar33892256
D-Citrulline,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(=O)NCCCC(N[Si](C)(C)C(C)(C)C)C(=O)O2213.8Standard non polar33892256
D-Citrulline,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(=O)NCCCC(N[Si](C)(C)C(C)(C)C)C(=O)O2947.0Standard polar33892256
D-Citrulline,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(C(CCCNC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C2600.2Semi standard non polar33892256
D-Citrulline,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(C(CCCNC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C2296.8Standard non polar33892256
D-Citrulline,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(C(CCCNC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C3333.6Standard polar33892256
D-Citrulline,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(CCCN(C(N)=O)[Si](C)(C)C(C)(C)C)C(=O)O2531.9Semi standard non polar33892256
D-Citrulline,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(CCCN(C(N)=O)[Si](C)(C)C(C)(C)C)C(=O)O2335.8Standard non polar33892256
D-Citrulline,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(CCCN(C(N)=O)[Si](C)(C)C(C)(C)C)C(=O)O3124.1Standard polar33892256
D-Citrulline,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N(C(=O)NCCCC(N)C(=O)O)[Si](C)(C)C(C)(C)C2504.9Semi standard non polar33892256
D-Citrulline,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N(C(=O)NCCCC(N)C(=O)O)[Si](C)(C)C(C)(C)C2325.9Standard non polar33892256
D-Citrulline,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N(C(=O)NCCCC(N)C(=O)O)[Si](C)(C)C(C)(C)C3211.2Standard polar33892256
D-Citrulline,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(=O)N(CCCC(N)C(=O)O)[Si](C)(C)C(C)(C)C2505.0Semi standard non polar33892256
D-Citrulline,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(=O)N(CCCC(N)C(=O)O)[Si](C)(C)C(C)(C)C2317.7Standard non polar33892256
D-Citrulline,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(=O)N(CCCC(N)C(=O)O)[Si](C)(C)C(C)(C)C3162.1Standard polar33892256
D-Citrulline,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)NCCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2750.4Semi standard non polar33892256
D-Citrulline,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)NCCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2402.0Standard non polar33892256
D-Citrulline,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)NCCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2742.5Standard polar33892256
D-Citrulline,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)N(CCCC(N)C(=O)O)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2739.1Semi standard non polar33892256
D-Citrulline,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)N(CCCC(N)C(=O)O)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2635.5Standard non polar33892256
D-Citrulline,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)N(CCCC(N)C(=O)O)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2956.0Standard polar33892256
D-Citrulline,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(CCCNC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2794.0Semi standard non polar33892256
D-Citrulline,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(CCCNC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2540.8Standard non polar33892256
D-Citrulline,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(CCCNC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3087.2Standard polar33892256
D-Citrulline,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(CCCN(C(N)=O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2633.7Semi standard non polar33892256
D-Citrulline,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(CCCN(C(N)=O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2514.5Standard non polar33892256
D-Citrulline,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(CCCN(C(N)=O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2993.6Standard polar33892256
D-Citrulline,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCNC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2702.6Semi standard non polar33892256
D-Citrulline,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCNC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2559.9Standard non polar33892256
D-Citrulline,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCNC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2887.3Standard polar33892256
D-Citrulline,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(=O)N(CCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2671.9Semi standard non polar33892256
D-Citrulline,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(=O)N(CCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2529.4Standard non polar33892256
D-Citrulline,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(=O)N(CCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2899.7Standard polar33892256
D-Citrulline,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(CCCNC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2815.8Semi standard non polar33892256
D-Citrulline,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(CCCNC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2539.8Standard non polar33892256
D-Citrulline,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(CCCNC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2790.0Standard polar33892256
D-Citrulline,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC(=O)N(CCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2792.5Semi standard non polar33892256
D-Citrulline,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC(=O)N(CCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2523.4Standard non polar33892256
D-Citrulline,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC(=O)N(CCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2807.4Standard polar33892256
D-Citrulline,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(=O)NCCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2888.1Semi standard non polar33892256
D-Citrulline,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(=O)NCCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2470.7Standard non polar33892256
D-Citrulline,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(=O)NCCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2837.8Standard polar33892256
D-Citrulline,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)N(CCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N)=O2832.5Semi standard non polar33892256
D-Citrulline,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)N(CCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N)=O2570.8Standard non polar33892256
D-Citrulline,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)N(CCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N)=O3058.7Standard polar33892256
D-Citrulline,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CCCNC(=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)C2942.6Semi standard non polar33892256
D-Citrulline,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CCCNC(=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)C2728.9Standard non polar33892256
D-Citrulline,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CCCNC(=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)C2687.5Standard polar33892256
D-Citrulline,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=O)N(CCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2904.9Semi standard non polar33892256
D-Citrulline,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=O)N(CCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2683.7Standard non polar33892256
D-Citrulline,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=O)N(CCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2714.9Standard polar33892256
D-Citrulline,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=O)NCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3063.8Semi standard non polar33892256
D-Citrulline,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=O)NCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2657.9Standard non polar33892256
D-Citrulline,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=O)NCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2764.2Standard polar33892256
D-Citrulline,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(CCCN(C(N)=O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3014.2Semi standard non polar33892256
D-Citrulline,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(CCCN(C(N)=O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2752.7Standard non polar33892256
D-Citrulline,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(CCCN(C(N)=O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3029.9Standard polar33892256
D-Citrulline,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCN(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2930.8Semi standard non polar33892256
D-Citrulline,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCN(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2825.3Standard non polar33892256
D-Citrulline,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCN(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2816.7Standard polar33892256
D-Citrulline,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)N(C(=O)NCCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3110.1Semi standard non polar33892256
D-Citrulline,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)N(C(=O)NCCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2778.9Standard non polar33892256
D-Citrulline,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)N(C(=O)NCCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2758.4Standard polar33892256
D-Citrulline,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC(CCCN(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3022.5Semi standard non polar33892256
D-Citrulline,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC(CCCN(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2818.5Standard non polar33892256
D-Citrulline,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC(CCCN(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2732.9Standard polar33892256
D-Citrulline,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(=O)N(CCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3079.0Semi standard non polar33892256
D-Citrulline,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(=O)N(CCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2746.0Standard non polar33892256
D-Citrulline,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(=O)N(CCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2793.4Standard polar33892256
D-Citrulline,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CCCNC(=O)N([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)C3301.7Semi standard non polar33892256
D-Citrulline,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CCCNC(=O)N([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)C2975.2Standard non polar33892256
D-Citrulline,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CCCNC(=O)N([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)C2693.1Standard polar33892256
D-Citrulline,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(CCCN(C(=O)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)C3166.3Semi standard non polar33892256
D-Citrulline,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(CCCN(C(=O)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)C2996.7Standard non polar33892256
D-Citrulline,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(CCCN(C(=O)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)C2659.6Standard polar33892256
D-Citrulline,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=O)N(CCCC(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)C3272.0Semi standard non polar33892256
D-Citrulline,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=O)N(CCCC(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)C2945.6Standard non polar33892256
D-Citrulline,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=O)N(CCCC(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)C2731.0Standard polar33892256
D-Citrulline,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(CCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3335.3Semi standard non polar33892256
D-Citrulline,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(CCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3041.3Standard non polar33892256
D-Citrulline,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(CCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2708.7Standard polar33892256
D-Citrulline,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CCCN(C(=O)N([Si](C)(C)C(C)(C)C)[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)C3531.1Semi standard non polar33892256
D-Citrulline,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CCCN(C(=O)N([Si](C)(C)C(C)(C)C)[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)C3250.8Standard non polar33892256
D-Citrulline,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CCCN(C(=O)N([Si](C)(C)C(C)(C)C)[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)C2717.7Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - D-Citrulline GC-MS (Non-derivatized) - 70eV, Positivesplash10-00dl-9100000000-e529c1966775698ee6e92021-09-23Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Citrulline GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Citrulline GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Citrulline GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Citrulline GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Citrulline GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Citrulline GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Citrulline GC-MS (TBDMS_1_2) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Citrulline GC-MS (TBDMS_1_3) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Citrulline GC-MS (TBDMS_1_4) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - D-Citrulline 20V, Positive-QTOFsplash10-0c00-2900000000-846d262ea004dcebd47d2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - D-Citrulline 30V, Positive-QTOFsplash10-00di-9200000000-0ab8c8048fd2a1b5b1672021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - D-Citrulline 25V, Positive-QTOFsplash10-0229-8900000000-a4497446a074f32257852021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - D-Citrulline 20V, Positive-QTOFsplash10-0c00-2900000000-d70247cdb16d3102b7a92021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - D-Citrulline 10V, Positive-QTOFsplash10-056r-0900000000-80c9aa9f74a41662c41e2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - D-Citrulline 15V, Positive-QTOFsplash10-0a4i-0900000000-ad997bc0667b7f4bfa212021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - D-Citrulline 10V, Positive-QTOFsplash10-08fr-0900000000-fc7c70b4f13a18da7d9c2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - D-Citrulline 50V, Positive-QTOFsplash10-03di-0900000000-529fb3c691ccb8f75e512021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Citrulline 10V, Positive-QTOFsplash10-001i-2900000000-8ad50b6bfa04148584562015-05-27Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Citrulline 20V, Positive-QTOFsplash10-02h0-9800000000-a21c873012c5b415893d2015-05-27Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Citrulline 40V, Positive-QTOFsplash10-00di-9000000000-99072cb4f63af1d1cf6f2015-05-27Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Citrulline 10V, Negative-QTOFsplash10-01x3-3900000000-116f2160c869230ce0dc2015-05-27Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Citrulline 20V, Negative-QTOFsplash10-06sl-6900000000-83b0717c41387086e9082015-05-27Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Citrulline 40V, Negative-QTOFsplash10-0006-9000000000-21c686e77e72c76881e02015-05-27Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Citrulline 10V, Positive-QTOFsplash10-05xr-1900000000-1addffa6d45f8970bb872021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Citrulline 20V, Positive-QTOFsplash10-00di-9300000000-43c77c654e7b19dc73552021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Citrulline 40V, Positive-QTOFsplash10-00di-9000000000-37c27f0534146cfc27722021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Citrulline 10V, Negative-QTOFsplash10-0089-0900000000-fc6232218e6492527c732021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Citrulline 20V, Negative-QTOFsplash10-01q9-2900000000-8d873455742869882e962021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Citrulline 40V, Negative-QTOFsplash10-0006-9000000000-c4503bf7e22592041d5a2021-10-12Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB004657
KNApSAcK IDC00001348
Chemspider ID810
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkCitrulline
METLIN IDNot Available
PubChem Compound833
PDB IDNot Available
ChEBI ID18211
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1241711
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]