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Showing metabocard for delta-Guanidinovaleric acid (HMDB0250978)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 08:08:18 UTC
Update Date2022-09-22 17:45:20 UTC
HMDB IDHMDB0250978
Secondary Accession NumbersNone
Metabolite Identification
Common Namedelta-Guanidinovaleric acid
Description5-carbamimidamidopentanoic acid belongs to the class of organic compounds known as straight chain fatty acids. These are fatty acids with a straight aliphatic chain. 5-carbamimidamidopentanoic acid is a very strong basic compound (based on its pKa). This compound has been identified in human blood as reported by (PMID: 31557052 ). Delta-guanidinovaleric acid is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically delta-Guanidinovaleric acid 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 HMDB0250978 (delta-Guanidinovaleric acid)


  Mrv0541 05041404542D          

 11 10  0  0  0  0            999 V2000
    3.6829    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1118    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8263    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1118   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  4  1  0  0  0  0
  9  6  1  0  0  0  0
 10  5  2  0  0  0  0
 11  5  1  0  0  0  0
M  END
Download

3D MOL for HMDB0250978 (delta-Guanidinovaleric acid)

HMDB0250978
     RDKit          3D
delta-Guanidinovaleric acid
 24 23  0  0  0  0  0  0  0  0999 V2000
   -3.2001   -1.0245    1.1721 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8855   -0.1122    0.3171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3195   -0.2575   -1.0275 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1256    1.0323    0.6512 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7461    1.1227    0.2313 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0315    0.0973    0.9910 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4858    0.0379    0.6895 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8421   -0.2699   -0.7164 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3168   -0.2970   -0.8614 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0115   -0.0666    0.1791 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9613   -0.5591   -2.0662 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.8796    2.1617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3478   -0.1697   -1.2218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6141   -0.4470   -1.7833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458    1.8080    1.1946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3569    2.1464    0.3928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6561    0.9008   -0.8670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0717    0.2877    2.0917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4147   -0.9078    0.8190 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9106   -0.7810    1.3344 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0331    0.9535    1.0026 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3626    0.4358   -1.4249 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4961   -1.3212   -0.9337 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6905    0.0883   -2.3259 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
  1 12  1  0
  3 13  1  0
  3 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
  8 23  1  0
 11 24  1  0
M  END
Download

3D SDF for HMDB0250978 (delta-Guanidinovaleric acid)


  Mrv0541 05041404542D          

 11 10  0  0  0  0            999 V2000
    3.6829    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1118    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8263    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1118   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  4  1  0  0  0  0
  9  6  1  0  0  0  0
 10  5  2  0  0  0  0
 11  5  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0250978

> <DATABASE_NAME>
hmdb

> <SMILES>
NC(=N)NCCCCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C6H13N3O2/c7-6(8)9-4-2-1-3-5(10)11/h1-4H2,(H,10,11)(H4,7,8,9)

> <INCHI_KEY>
UKUBCVAQGIZRHL-UHFFFAOYSA-N

> <FORMULA>
C6H13N3O2

> <MOLECULAR_WEIGHT>
159.1863

> <EXACT_MASS>
159.100776675

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
16.73201640744187

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5-carbamimidamidopentanoic acid

> <ALOGPS_LOGP>
-1.09

> <JCHEM_LOGP>
-2.156026903190845

> <ALOGPS_LOGS>
-1.89

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.354320665945608

> <JCHEM_PKA_STRONGEST_BASIC>
12.443851088323951

> <JCHEM_POLAR_SURFACE_AREA>
99.2

> <JCHEM_REFRACTIVITY>
50.773399999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.07e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
delta-guanidinovaleric acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0250978 (delta-Guanidinovaleric acid)

HMDB0250978
     RDKit          3D
delta-Guanidinovaleric acid
 24 23  0  0  0  0  0  0  0  0999 V2000
   -3.2001   -1.0245    1.1721 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8855   -0.1122    0.3171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3195   -0.2575   -1.0275 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1256    1.0323    0.6512 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7461    1.1227    0.2313 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0315    0.0973    0.9910 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4858    0.0379    0.6895 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8421   -0.2699   -0.7164 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3168   -0.2970   -0.8614 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0115   -0.0666    0.1791 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9613   -0.5591   -2.0662 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.8796    2.1617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3478   -0.1697   -1.2218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6141   -0.4470   -1.7833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458    1.8080    1.1946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3569    2.1464    0.3928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6561    0.9008   -0.8670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0717    0.2877    2.0917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4147   -0.9078    0.8190 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9106   -0.7810    1.3344 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0331    0.9535    1.0026 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3626    0.4358   -1.4249 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4961   -1.3212   -0.9337 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6905    0.0883   -2.3259 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
  1 12  1  0
  3 13  1  0
  3 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
  8 23  1  0
 11 24  1  0
M  END
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PDB for HMDB0250978 (delta-Guanidinovaleric acid)

HEADER    PROTEIN                                 04-MAY-14   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-MAY-14         0                                  
HETATM    1  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+0
HETATM    8  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+0
HETATM    9  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+0
HETATM   10  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
CONECT    1    2    3                                                       
CONECT    2    1    4                                                       
CONECT    3    1    5                                                       
CONECT    4    2    9                                                       
CONECT    5    3   10   11                                                  
CONECT    6    7    8    9                                                  
CONECT    7    6                                                            
CONECT    8    6                                                            
CONECT    9    4    6                                                       
CONECT   10    5                                                            
CONECT   11    5                                                            
MASTER        0    0    0    0    0    0    0    0   11    0   20    0
END
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3D PDB for HMDB0250978 (delta-Guanidinovaleric acid)

COMPND    HMDB0250978
HETATM    1  N1  UNL     1      -3.200  -1.025   1.172  1.00  0.00           N  
HETATM    2  C1  UNL     1      -2.886  -0.112   0.317  1.00  0.00           C  
HETATM    3  N2  UNL     1      -3.320  -0.257  -1.028  1.00  0.00           N  
HETATM    4  N3  UNL     1      -2.126   1.032   0.651  1.00  0.00           N  
HETATM    5  C2  UNL     1      -0.746   1.123   0.231  1.00  0.00           C  
HETATM    6  C3  UNL     1       0.032   0.097   0.991  1.00  0.00           C  
HETATM    7  C4  UNL     1       1.486   0.038   0.689  1.00  0.00           C  
HETATM    8  C5  UNL     1       1.842  -0.270  -0.716  1.00  0.00           C  
HETATM    9  C6  UNL     1       3.317  -0.297  -0.861  1.00  0.00           C  
HETATM   10  O1  UNL     1       4.012  -0.067   0.179  1.00  0.00           O  
HETATM   11  O2  UNL     1       3.961  -0.559  -2.066  1.00  0.00           O  
HETATM   12  H1  UNL     1      -2.858  -0.880   2.162  1.00  0.00           H  
HETATM   13  H2  UNL     1      -4.348  -0.170  -1.222  1.00  0.00           H  
HETATM   14  H3  UNL     1      -2.614  -0.447  -1.783  1.00  0.00           H  
HETATM   15  H4  UNL     1      -2.546   1.808   1.195  1.00  0.00           H  
HETATM   16  H5  UNL     1      -0.357   2.146   0.393  1.00  0.00           H  
HETATM   17  H6  UNL     1      -0.656   0.901  -0.867  1.00  0.00           H  
HETATM   18  H7  UNL     1      -0.072   0.288   2.092  1.00  0.00           H  
HETATM   19  H8  UNL     1      -0.415  -0.908   0.819  1.00  0.00           H  
HETATM   20  H9  UNL     1       1.911  -0.781   1.334  1.00  0.00           H  
HETATM   21  H10 UNL     1       2.033   0.953   1.003  1.00  0.00           H  
HETATM   22  H11 UNL     1       1.363   0.436  -1.425  1.00  0.00           H  
HETATM   23  H12 UNL     1       1.496  -1.321  -0.934  1.00  0.00           H  
HETATM   24  H13 UNL     1       4.690   0.088  -2.326  1.00  0.00           H  
CONECT    1    2    2   12
CONECT    2    3    4
CONECT    3   13   14
CONECT    4    5   15
CONECT    5    6   16   17
CONECT    6    7   18   19
CONECT    7    8   20   21
CONECT    8    9   22   23
CONECT    9   10   10   11
CONECT   11   24
END
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SMILES for HMDB0250978 (delta-Guanidinovaleric acid)

NC(=N)NCCCCC(O)=O
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INCHI for HMDB0250978 (delta-Guanidinovaleric acid)

InChI=1S/C6H13N3O2/c7-6(8)9-4-2-1-3-5(10)11/h1-4H2,(H,10,11)(H4,7,8,9)
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View in JSmolView Stereo Labels
Synonyms
ValueSource
5-CarbamimidamidopentanoateGenerator
5-guanidino-Pentanoic acidChEMBL
5-guanidino-PentanoateGenerator
delta-GuanidinovalerateGenerator
δ-guanidinovalerateGenerator
δ-guanidinovaleric acidGenerator
DGVAMeSH
Chemical FormulaC6H13N3O2
Average Molecular Weight159.1863
Monoisotopic Molecular Weight159.100776675
IUPAC Name5-carbamimidamidopentanoic acid
Traditional Namedelta-guanidinovaleric acid
CAS Registry NumberNot Available
SMILES
NC(=N)NCCCCC(O)=O
InChI Identifier
InChI=1S/C6H13N3O2/c7-6(8)9-4-2-1-3-5(10)11/h1-4H2,(H,10,11)(H4,7,8,9)
InChI KeyUKUBCVAQGIZRHL-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as straight chain fatty acids. These are fatty acids with a straight aliphatic chain.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty acids and conjugates
Direct ParentStraight chain fatty acids
Alternative Parents
Substituents
  • Straight chain fatty acid
  • Guanidine
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • Carboximidamide
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organic nitrogen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Carbonyl group
  • Organic oxygen compound
  • 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-1.1ALOGPS
logP-2.2ChemAxon
logS-1.9ALOGPS
pKa (Strongest Acidic)4.35ChemAxon
pKa (Strongest Basic)12.44ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area99.2 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity50.77 m³·mol⁻¹ChemAxon
Polarizability16.73 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]+135.55830932474
DeepCCS[M-H]-132.17430932474
DeepCCS[M-2H]-168.82630932474
DeepCCS[M+Na]+144.2830932474
AllCCS[M+H]+135.532859911
AllCCS[M+H-H2O]+131.732859911
AllCCS[M+NH4]+139.132859911
AllCCS[M+Na]+140.232859911
AllCCS[M-H]-134.532859911
AllCCS[M+Na-2H]-136.432859911
AllCCS[M+HCOO]-138.632859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
delta-Guanidinovaleric acidNC(=N)NCCCCC(O)=O2795.8Standard polar33892256
delta-Guanidinovaleric acidNC(=N)NCCCCC(O)=O1590.2Standard non polar33892256
delta-Guanidinovaleric acidNC(=N)NCCCCC(O)=O1983.0Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
delta-Guanidinovaleric acid,2TMS,isomer #1C[Si](C)(C)NC(=N)NCCCCC(=O)O[Si](C)(C)C2048.7Semi standard non polar33892256
delta-Guanidinovaleric acid,2TMS,isomer #1C[Si](C)(C)NC(=N)NCCCCC(=O)O[Si](C)(C)C1737.7Standard non polar33892256
delta-Guanidinovaleric acid,2TMS,isomer #1C[Si](C)(C)NC(=N)NCCCCC(=O)O[Si](C)(C)C3245.4Standard polar33892256
delta-Guanidinovaleric acid,2TMS,isomer #2C[Si](C)(C)OC(=O)CCCCN(C(=N)N)[Si](C)(C)C1946.3Semi standard non polar33892256
delta-Guanidinovaleric acid,2TMS,isomer #2C[Si](C)(C)OC(=O)CCCCN(C(=N)N)[Si](C)(C)C1753.4Standard non polar33892256
delta-Guanidinovaleric acid,2TMS,isomer #2C[Si](C)(C)OC(=O)CCCCN(C(=N)N)[Si](C)(C)C3163.4Standard polar33892256
delta-Guanidinovaleric acid,2TMS,isomer #3C[Si](C)(C)N=C(N)NCCCCC(=O)O[Si](C)(C)C1842.0Semi standard non polar33892256
delta-Guanidinovaleric acid,2TMS,isomer #3C[Si](C)(C)N=C(N)NCCCCC(=O)O[Si](C)(C)C1634.9Standard non polar33892256
delta-Guanidinovaleric acid,2TMS,isomer #3C[Si](C)(C)N=C(N)NCCCCC(=O)O[Si](C)(C)C3143.4Standard polar33892256
delta-Guanidinovaleric acid,2TMS,isomer #4C[Si](C)(C)N(C(=N)NCCCCC(=O)O)[Si](C)(C)C2080.0Semi standard non polar33892256
delta-Guanidinovaleric acid,2TMS,isomer #4C[Si](C)(C)N(C(=N)NCCCCC(=O)O)[Si](C)(C)C1816.7Standard non polar33892256
delta-Guanidinovaleric acid,2TMS,isomer #4C[Si](C)(C)N(C(=N)NCCCCC(=O)O)[Si](C)(C)C3029.9Standard polar33892256
delta-Guanidinovaleric acid,2TMS,isomer #5C[Si](C)(C)N=C(NCCCCC(=O)O)N[Si](C)(C)C1954.9Semi standard non polar33892256
delta-Guanidinovaleric acid,2TMS,isomer #5C[Si](C)(C)N=C(NCCCCC(=O)O)N[Si](C)(C)C1686.4Standard non polar33892256
delta-Guanidinovaleric acid,2TMS,isomer #5C[Si](C)(C)N=C(NCCCCC(=O)O)N[Si](C)(C)C3119.1Standard polar33892256
delta-Guanidinovaleric acid,2TMS,isomer #6C[Si](C)(C)NC(=N)N(CCCCC(=O)O)[Si](C)(C)C2044.0Semi standard non polar33892256
delta-Guanidinovaleric acid,2TMS,isomer #6C[Si](C)(C)NC(=N)N(CCCCC(=O)O)[Si](C)(C)C1812.0Standard non polar33892256
delta-Guanidinovaleric acid,2TMS,isomer #6C[Si](C)(C)NC(=N)N(CCCCC(=O)O)[Si](C)(C)C3071.2Standard polar33892256
delta-Guanidinovaleric acid,2TMS,isomer #7C[Si](C)(C)N=C(N)N(CCCCC(=O)O)[Si](C)(C)C1938.7Semi standard non polar33892256
delta-Guanidinovaleric acid,2TMS,isomer #7C[Si](C)(C)N=C(N)N(CCCCC(=O)O)[Si](C)(C)C1739.2Standard non polar33892256
delta-Guanidinovaleric acid,2TMS,isomer #7C[Si](C)(C)N=C(N)N(CCCCC(=O)O)[Si](C)(C)C3088.3Standard polar33892256
delta-Guanidinovaleric acid,3TMS,isomer #1C[Si](C)(C)OC(=O)CCCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C2093.6Semi standard non polar33892256
delta-Guanidinovaleric acid,3TMS,isomer #1C[Si](C)(C)OC(=O)CCCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C1886.5Standard non polar33892256
delta-Guanidinovaleric acid,3TMS,isomer #1C[Si](C)(C)OC(=O)CCCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C2711.5Standard polar33892256
delta-Guanidinovaleric acid,3TMS,isomer #2C[Si](C)(C)N=C(NCCCCC(=O)O[Si](C)(C)C)N[Si](C)(C)C1991.0Semi standard non polar33892256
delta-Guanidinovaleric acid,3TMS,isomer #2C[Si](C)(C)N=C(NCCCCC(=O)O[Si](C)(C)C)N[Si](C)(C)C1634.9Standard non polar33892256
delta-Guanidinovaleric acid,3TMS,isomer #2C[Si](C)(C)N=C(NCCCCC(=O)O[Si](C)(C)C)N[Si](C)(C)C2866.6Standard polar33892256
delta-Guanidinovaleric acid,3TMS,isomer #3C[Si](C)(C)NC(=N)N(CCCCC(=O)O[Si](C)(C)C)[Si](C)(C)C2042.8Semi standard non polar33892256
delta-Guanidinovaleric acid,3TMS,isomer #3C[Si](C)(C)NC(=N)N(CCCCC(=O)O[Si](C)(C)C)[Si](C)(C)C1866.2Standard non polar33892256
delta-Guanidinovaleric acid,3TMS,isomer #3C[Si](C)(C)NC(=N)N(CCCCC(=O)O[Si](C)(C)C)[Si](C)(C)C2760.9Standard polar33892256
delta-Guanidinovaleric acid,3TMS,isomer #4C[Si](C)(C)N=C(N)N(CCCCC(=O)O[Si](C)(C)C)[Si](C)(C)C1933.9Semi standard non polar33892256
delta-Guanidinovaleric acid,3TMS,isomer #4C[Si](C)(C)N=C(N)N(CCCCC(=O)O[Si](C)(C)C)[Si](C)(C)C1709.4Standard non polar33892256
delta-Guanidinovaleric acid,3TMS,isomer #4C[Si](C)(C)N=C(N)N(CCCCC(=O)O[Si](C)(C)C)[Si](C)(C)C2981.6Standard polar33892256
delta-Guanidinovaleric acid,3TMS,isomer #5C[Si](C)(C)N=C(NCCCCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C2031.3Semi standard non polar33892256
delta-Guanidinovaleric acid,3TMS,isomer #5C[Si](C)(C)N=C(NCCCCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C1836.2Standard non polar33892256
delta-Guanidinovaleric acid,3TMS,isomer #5C[Si](C)(C)N=C(NCCCCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C2718.1Standard polar33892256
delta-Guanidinovaleric acid,3TMS,isomer #6C[Si](C)(C)N(CCCCC(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C2061.5Semi standard non polar33892256
delta-Guanidinovaleric acid,3TMS,isomer #6C[Si](C)(C)N(CCCCC(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C1979.1Standard non polar33892256
delta-Guanidinovaleric acid,3TMS,isomer #6C[Si](C)(C)N(CCCCC(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C2711.4Standard polar33892256
delta-Guanidinovaleric acid,3TMS,isomer #7C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCCCC(=O)O)[Si](C)(C)C2011.0Semi standard non polar33892256
delta-Guanidinovaleric acid,3TMS,isomer #7C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCCCC(=O)O)[Si](C)(C)C1799.8Standard non polar33892256
delta-Guanidinovaleric acid,3TMS,isomer #7C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCCCC(=O)O)[Si](C)(C)C2722.0Standard polar33892256
delta-Guanidinovaleric acid,4TMS,isomer #1C[Si](C)(C)OC(=O)CCCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2063.3Semi standard non polar33892256
delta-Guanidinovaleric acid,4TMS,isomer #1C[Si](C)(C)OC(=O)CCCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2025.2Standard non polar33892256
delta-Guanidinovaleric acid,4TMS,isomer #1C[Si](C)(C)OC(=O)CCCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2458.9Standard polar33892256
delta-Guanidinovaleric acid,4TMS,isomer #2C[Si](C)(C)N=C(NCCCCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2029.8Semi standard non polar33892256
delta-Guanidinovaleric acid,4TMS,isomer #2C[Si](C)(C)N=C(NCCCCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1788.6Standard non polar33892256
delta-Guanidinovaleric acid,4TMS,isomer #2C[Si](C)(C)N=C(NCCCCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2482.3Standard polar33892256
delta-Guanidinovaleric acid,4TMS,isomer #3C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCCCC(=O)O[Si](C)(C)C)[Si](C)(C)C2017.1Semi standard non polar33892256
delta-Guanidinovaleric acid,4TMS,isomer #3C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCCCC(=O)O[Si](C)(C)C)[Si](C)(C)C1766.7Standard non polar33892256
delta-Guanidinovaleric acid,4TMS,isomer #3C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCCCC(=O)O[Si](C)(C)C)[Si](C)(C)C2468.5Standard polar33892256
delta-Guanidinovaleric acid,4TMS,isomer #4C[Si](C)(C)N=C(N(CCCCC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2088.0Semi standard non polar33892256
delta-Guanidinovaleric acid,4TMS,isomer #4C[Si](C)(C)N=C(N(CCCCC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1984.2Standard non polar33892256
delta-Guanidinovaleric acid,4TMS,isomer #4C[Si](C)(C)N=C(N(CCCCC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2320.7Standard polar33892256
delta-Guanidinovaleric acid,5TMS,isomer #1C[Si](C)(C)N=C(N(CCCCC(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2099.6Semi standard non polar33892256
delta-Guanidinovaleric acid,5TMS,isomer #1C[Si](C)(C)N=C(N(CCCCC(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1975.0Standard non polar33892256
delta-Guanidinovaleric acid,5TMS,isomer #1C[Si](C)(C)N=C(N(CCCCC(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2091.2Standard polar33892256
delta-Guanidinovaleric acid,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=N)NCCCCC(=O)O[Si](C)(C)C(C)(C)C2507.3Semi standard non polar33892256
delta-Guanidinovaleric acid,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=N)NCCCCC(=O)O[Si](C)(C)C(C)(C)C2107.7Standard non polar33892256
delta-Guanidinovaleric acid,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=N)NCCCCC(=O)O[Si](C)(C)C(C)(C)C3058.2Standard polar33892256
delta-Guanidinovaleric acid,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)CCCCN(C(=N)N)[Si](C)(C)C(C)(C)C2383.5Semi standard non polar33892256
delta-Guanidinovaleric acid,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)CCCCN(C(=N)N)[Si](C)(C)C(C)(C)C2142.9Standard non polar33892256
delta-Guanidinovaleric acid,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)CCCCN(C(=N)N)[Si](C)(C)C(C)(C)C3172.6Standard polar33892256
delta-Guanidinovaleric acid,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(N)NCCCCC(=O)O[Si](C)(C)C(C)(C)C2293.8Semi standard non polar33892256
delta-Guanidinovaleric acid,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(N)NCCCCC(=O)O[Si](C)(C)C(C)(C)C2007.7Standard non polar33892256
delta-Guanidinovaleric acid,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(N)NCCCCC(=O)O[Si](C)(C)C(C)(C)C3172.4Standard polar33892256
delta-Guanidinovaleric acid,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(C(=N)NCCCCC(=O)O)[Si](C)(C)C(C)(C)C2499.5Semi standard non polar33892256
delta-Guanidinovaleric acid,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(C(=N)NCCCCC(=O)O)[Si](C)(C)C(C)(C)C2203.4Standard non polar33892256
delta-Guanidinovaleric acid,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(C(=N)NCCCCC(=O)O)[Si](C)(C)C(C)(C)C2924.8Standard polar33892256
delta-Guanidinovaleric acid,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C(NCCCCC(=O)O)N[Si](C)(C)C(C)(C)C2459.3Semi standard non polar33892256
delta-Guanidinovaleric acid,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C(NCCCCC(=O)O)N[Si](C)(C)C(C)(C)C2010.7Standard non polar33892256
delta-Guanidinovaleric acid,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C(NCCCCC(=O)O)N[Si](C)(C)C(C)(C)C2933.9Standard polar33892256
delta-Guanidinovaleric acid,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(=N)N(CCCCC(=O)O)[Si](C)(C)C(C)(C)C2498.3Semi standard non polar33892256
delta-Guanidinovaleric acid,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(=N)N(CCCCC(=O)O)[Si](C)(C)C(C)(C)C2204.6Standard non polar33892256
delta-Guanidinovaleric acid,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(=N)N(CCCCC(=O)O)[Si](C)(C)C(C)(C)C2947.7Standard polar33892256
delta-Guanidinovaleric acid,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(N)N(CCCCC(=O)O)[Si](C)(C)C(C)(C)C2378.2Semi standard non polar33892256
delta-Guanidinovaleric acid,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(N)N(CCCCC(=O)O)[Si](C)(C)C(C)(C)C2072.4Standard non polar33892256
delta-Guanidinovaleric acid,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(N)N(CCCCC(=O)O)[Si](C)(C)C(C)(C)C3099.1Standard polar33892256
delta-Guanidinovaleric acid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CCCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2710.9Semi standard non polar33892256
delta-Guanidinovaleric acid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CCCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2436.1Standard non polar33892256
delta-Guanidinovaleric acid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CCCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2800.0Standard polar33892256
delta-Guanidinovaleric acid,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(NCCCCC(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C2637.3Semi standard non polar33892256
delta-Guanidinovaleric acid,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(NCCCCC(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C2143.5Standard non polar33892256
delta-Guanidinovaleric acid,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(NCCCCC(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C2829.0Standard polar33892256
delta-Guanidinovaleric acid,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=N)N(CCCCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2704.3Semi standard non polar33892256
delta-Guanidinovaleric acid,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=N)N(CCCCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2417.6Standard non polar33892256
delta-Guanidinovaleric acid,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=N)N(CCCCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2834.9Standard polar33892256
delta-Guanidinovaleric acid,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(N)N(CCCCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2583.3Semi standard non polar33892256
delta-Guanidinovaleric acid,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(N)N(CCCCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2221.6Standard non polar33892256
delta-Guanidinovaleric acid,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(N)N(CCCCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3116.8Standard polar33892256
delta-Guanidinovaleric acid,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C(NCCCCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2659.3Semi standard non polar33892256
delta-Guanidinovaleric acid,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C(NCCCCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2321.3Standard non polar33892256
delta-Guanidinovaleric acid,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C(NCCCCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2751.1Standard polar33892256
delta-Guanidinovaleric acid,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)N(CCCCC(=O)O)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2679.8Semi standard non polar33892256
delta-Guanidinovaleric acid,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)N(CCCCC(=O)O)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2537.6Standard non polar33892256
delta-Guanidinovaleric acid,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)N(CCCCC(=O)O)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2809.7Standard polar33892256
delta-Guanidinovaleric acid,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCCCC(=O)O)[Si](C)(C)C(C)(C)C2631.5Semi standard non polar33892256
delta-Guanidinovaleric acid,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCCCC(=O)O)[Si](C)(C)C(C)(C)C2253.9Standard non polar33892256
delta-Guanidinovaleric acid,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCCCC(=O)O)[Si](C)(C)C(C)(C)C2764.9Standard polar33892256
delta-Guanidinovaleric acid,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CCCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2909.8Semi standard non polar33892256
delta-Guanidinovaleric acid,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CCCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2728.5Standard non polar33892256
delta-Guanidinovaleric acid,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CCCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2730.8Standard polar33892256
delta-Guanidinovaleric acid,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(NCCCCC(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2834.6Semi standard non polar33892256
delta-Guanidinovaleric acid,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(NCCCCC(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2455.6Standard non polar33892256
delta-Guanidinovaleric acid,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(NCCCCC(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2694.6Standard polar33892256
delta-Guanidinovaleric acid,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCCCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2817.6Semi standard non polar33892256
delta-Guanidinovaleric acid,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCCCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2403.2Standard non polar33892256
delta-Guanidinovaleric acid,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCCCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2707.1Standard polar33892256
delta-Guanidinovaleric acid,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(N(CCCCC(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2893.4Semi standard non polar33892256
delta-Guanidinovaleric acid,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(N(CCCCC(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2617.1Standard non polar33892256
delta-Guanidinovaleric acid,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(N(CCCCC(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2612.8Standard polar33892256
delta-Guanidinovaleric acid,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C(N(CCCCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3093.5Semi standard non polar33892256
delta-Guanidinovaleric acid,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C(N(CCCCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2793.0Standard non polar33892256
delta-Guanidinovaleric acid,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C(N(CCCCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2565.2Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - delta-Guanidinovaleric acid GC-MS (Non-derivatized) - 70eV, Positivesplash10-006x-9100000000-0586bfe6ee4ab7825e272021-09-23Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - delta-Guanidinovaleric acid GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - delta-Guanidinovaleric acid GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - delta-Guanidinovaleric acid GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - delta-Guanidinovaleric acid GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - delta-Guanidinovaleric acid GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - delta-Guanidinovaleric acid GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - delta-Guanidinovaleric acid GC-MS (TBDMS_1_2) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - delta-Guanidinovaleric acid GC-MS (TBDMS_1_3) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - delta-Guanidinovaleric acid GC-MS (TBDMS_1_4) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - delta-Guanidinovaleric acid 10V, Positive-QTOFsplash10-03dl-4900000000-5857688e484f29670c5a2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - delta-Guanidinovaleric acid 20V, Positive-QTOFsplash10-0a4i-9200000000-8b169db427401510f7a92021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - delta-Guanidinovaleric acid 40V, Positive-QTOFsplash10-0a4l-9000000000-37a473c1a0844662c18d2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - delta-Guanidinovaleric acid 10V, Negative-QTOFsplash10-00kb-9800000000-5ca9a7e1d5c731464ccf2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - delta-Guanidinovaleric acid 20V, Negative-QTOFsplash10-0002-9100000000-726df13675b7095ee3672021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - delta-Guanidinovaleric acid 40V, Negative-QTOFsplash10-0006-9000000000-1c8520c5f7efb1187e432021-10-12Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothAsthma details
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDC13688
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound160464
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
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 ]