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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2006-05-22 15:12:36 UTC
Update Date2022-09-22 17:43:49 UTC
HMDB IDHMDB0003148
Secondary Accession Numbers
  • HMDB03148
Metabolite Identification
Common NameArgininic acid
DescriptionTissue accumulation of argininic acid (AA) occurs in hyperargininemia. Hyperargininemia, an inborn error of the urea cycle, is caused by a severe deficiency of liver arginase, resulting in elevated tissue levels of arginine (Arg) and other guanidino compounds (GC). Affected patients present a neurological syndrome consisting of a variable degree of mental retardation, epilepsy and progressive spasticity whose pathophysiology is far from understood. Guanidino compounds accumulate in other pathological conditions such as uremia and epilepsy and some evidence supports the hypothesis that these compounds contribute to the neurological dysfunction characteristic of these diseases. The increase of these compounds occurs by blockage of the arginase reaction, activating secondary biochemical pathways. Thus, Arg is converted to α-keto-δ-guanidinovaleric acid by transamination, and this compound forms AA by hydrogenation. (PMID 12615083 ). AA has been identified as a uremic toxin according to the European Uremic Toxin Working Group (PMID: 22626821 ).
Structure
Data?1582752264
Synonyms
ValueSource
ArgininateGenerator
Arginic acidHMDB
(2S)-5-Carbamimidamido-2-hydroxypentanoateGenerator, HMDB
Argininic acidMeSH
Chemical FormulaC6H13N3O3
Average Molecular Weight175.1857
Monoisotopic Molecular Weight175.095691297
IUPAC Name(2S)-5-carbamimidamido-2-hydroxypentanoic acid
Traditional Nameargininic acid
CAS Registry Number157-07-3
SMILES
NC(=N)NCCC[C@H](O)C(O)=O
InChI Identifier
InChI=1S/C6H13N3O3/c7-6(8)9-3-1-2-4(10)5(11)12/h4,10H,1-3H2,(H,11,12)(H4,7,8,9)/t4-/m0/s1
InChI KeyBMFMQGXDDJALKQ-BYPYZUCNSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as delta amino acids and derivatives. Delta amino acids and derivatives are compounds containing a carboxylic acid group and an amino group at the C5 carbon atom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentDelta amino acids and derivatives
Alternative Parents
Substituents
  • Delta amino acid or derivatives
  • Alpha-hydroxy acid
  • Hydroxy acid
  • Monosaccharide
  • Fatty acid
  • Secondary alcohol
  • Guanidine
  • Carboximidamide
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carbonyl group
  • Organooxygen compound
  • Organonitrogen compound
  • Alcohol
  • Imine
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Physiological effect
Disposition
ProcessNot Available
Role
Physical Properties
StateSolid
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
Water Solubility2.35 g/LALOGPS
logP-1.7ALOGPS
logP-3ChemAxon
logS-1.9ALOGPS
pKa (Strongest Acidic)3.67ChemAxon
pKa (Strongest Basic)12.37ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area119.43 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity52.27 m³·mol⁻¹ChemAxon
Polarizability17.5 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
DarkChem[M+H]+139.71131661259
DarkChem[M-H]-135.87331661259
DeepCCS[M+H]+139.08530932474
DeepCCS[M-H]-135.25730932474
DeepCCS[M-2H]-172.84230932474
DeepCCS[M+Na]+148.38130932474
AllCCS[M+H]+139.232859911
AllCCS[M+H-H2O]+135.432859911
AllCCS[M+NH4]+142.732859911
AllCCS[M+Na]+143.732859911
AllCCS[M-H]-136.032859911
AllCCS[M+Na-2H]-137.632859911
AllCCS[M+HCOO]-139.332859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Argininic acidNC(=N)NCCC[C@H](O)C(O)=O2923.1Standard polar33892256
Argininic acidNC(=N)NCCC[C@H](O)C(O)=O1747.0Standard non polar33892256
Argininic acidNC(=N)NCCC[C@H](O)C(O)=O2109.0Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Argininic acid,1TMS,isomer #1C[Si](C)(C)O[C@@H](CCCNC(=N)N)C(=O)O1993.9Semi standard non polar33892256
Argininic acid,1TMS,isomer #2C[Si](C)(C)OC(=O)[C@@H](O)CCCNC(=N)N1942.7Semi standard non polar33892256
Argininic acid,1TMS,isomer #3C[Si](C)(C)NC(=N)NCCC[C@H](O)C(=O)O2113.6Semi standard non polar33892256
Argininic acid,1TMS,isomer #4C[Si](C)(C)N=C(N)NCCC[C@H](O)C(=O)O2003.1Semi standard non polar33892256
Argininic acid,1TMS,isomer #5C[Si](C)(C)N(CCC[C@H](O)C(=O)O)C(=N)N2067.8Semi standard non polar33892256
Argininic acid,2TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)O[Si](C)(C)C1998.2Semi standard non polar33892256
Argininic acid,2TMS,isomer #10C[Si](C)(C)NC(=N)N(CCC[C@H](O)C(=O)O)[Si](C)(C)C2170.7Semi standard non polar33892256
Argininic acid,2TMS,isomer #11C[Si](C)(C)N=C(N)N(CCC[C@H](O)C(=O)O)[Si](C)(C)C2068.2Semi standard non polar33892256
Argininic acid,2TMS,isomer #2C[Si](C)(C)NC(=N)NCCC[C@H](O[Si](C)(C)C)C(=O)O2132.9Semi standard non polar33892256
Argininic acid,2TMS,isomer #3C[Si](C)(C)O[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O2059.7Semi standard non polar33892256
Argininic acid,2TMS,isomer #4C[Si](C)(C)N=C(N)NCCC[C@H](O[Si](C)(C)C)C(=O)O1975.5Semi standard non polar33892256
Argininic acid,2TMS,isomer #5C[Si](C)(C)NC(=N)NCCC[C@H](O)C(=O)O[Si](C)(C)C2115.6Semi standard non polar33892256
Argininic acid,2TMS,isomer #6C[Si](C)(C)OC(=O)[C@@H](O)CCCN(C(=N)N)[Si](C)(C)C2019.1Semi standard non polar33892256
Argininic acid,2TMS,isomer #7C[Si](C)(C)N=C(N)NCCC[C@H](O)C(=O)O[Si](C)(C)C1912.7Semi standard non polar33892256
Argininic acid,2TMS,isomer #8C[Si](C)(C)N(C(=N)NCCC[C@H](O)C(=O)O)[Si](C)(C)C2210.1Semi standard non polar33892256
Argininic acid,2TMS,isomer #9C[Si](C)(C)N=C(NCCC[C@H](O)C(=O)O)N[Si](C)(C)C2071.0Semi standard non polar33892256
Argininic acid,3TMS,isomer #1C[Si](C)(C)NC(=N)NCCC[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C2145.6Semi standard non polar33892256
Argininic acid,3TMS,isomer #1C[Si](C)(C)NC(=N)NCCC[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C1858.3Standard non polar33892256
Argininic acid,3TMS,isomer #1C[Si](C)(C)NC(=N)NCCC[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C3198.8Standard polar33892256
Argininic acid,3TMS,isomer #10C[Si](C)(C)NC(=N)N(CCC[C@H](O)C(=O)O[Si](C)(C)C)[Si](C)(C)C2103.8Semi standard non polar33892256
Argininic acid,3TMS,isomer #10C[Si](C)(C)NC(=N)N(CCC[C@H](O)C(=O)O[Si](C)(C)C)[Si](C)(C)C1908.1Standard non polar33892256
Argininic acid,3TMS,isomer #10C[Si](C)(C)NC(=N)N(CCC[C@H](O)C(=O)O[Si](C)(C)C)[Si](C)(C)C3055.4Standard polar33892256
Argininic acid,3TMS,isomer #11C[Si](C)(C)N=C(N)N(CCC[C@H](O)C(=O)O[Si](C)(C)C)[Si](C)(C)C2002.4Semi standard non polar33892256
Argininic acid,3TMS,isomer #11C[Si](C)(C)N=C(N)N(CCC[C@H](O)C(=O)O[Si](C)(C)C)[Si](C)(C)C1758.7Standard non polar33892256
Argininic acid,3TMS,isomer #11C[Si](C)(C)N=C(N)N(CCC[C@H](O)C(=O)O[Si](C)(C)C)[Si](C)(C)C3212.5Standard polar33892256
Argininic acid,3TMS,isomer #12C[Si](C)(C)N=C(NCCC[C@H](O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2129.5Semi standard non polar33892256
Argininic acid,3TMS,isomer #12C[Si](C)(C)N=C(NCCC[C@H](O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C1893.3Standard non polar33892256
Argininic acid,3TMS,isomer #12C[Si](C)(C)N=C(NCCC[C@H](O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C3074.5Standard polar33892256
Argininic acid,3TMS,isomer #13C[Si](C)(C)N(CCC[C@H](O)C(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C2203.1Semi standard non polar33892256
Argininic acid,3TMS,isomer #13C[Si](C)(C)N(CCC[C@H](O)C(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C2040.2Standard non polar33892256
Argininic acid,3TMS,isomer #13C[Si](C)(C)N(CCC[C@H](O)C(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C3100.3Standard polar33892256
Argininic acid,3TMS,isomer #14C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](O)C(=O)O)[Si](C)(C)C2135.5Semi standard non polar33892256
Argininic acid,3TMS,isomer #14C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](O)C(=O)O)[Si](C)(C)C1849.4Standard non polar33892256
Argininic acid,3TMS,isomer #14C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](O)C(=O)O)[Si](C)(C)C3098.1Standard polar33892256
Argininic acid,3TMS,isomer #2C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)O[Si](C)(C)C2012.4Semi standard non polar33892256
Argininic acid,3TMS,isomer #2C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)O[Si](C)(C)C1837.5Standard non polar33892256
Argininic acid,3TMS,isomer #2C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)O[Si](C)(C)C3280.6Standard polar33892256
Argininic acid,3TMS,isomer #3C[Si](C)(C)N=C(N)NCCC[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C1943.4Semi standard non polar33892256
Argininic acid,3TMS,isomer #3C[Si](C)(C)N=C(N)NCCC[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C1754.4Standard non polar33892256
Argininic acid,3TMS,isomer #3C[Si](C)(C)N=C(N)NCCC[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C3310.9Standard polar33892256
Argininic acid,3TMS,isomer #4C[Si](C)(C)O[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2193.0Semi standard non polar33892256
Argininic acid,3TMS,isomer #4C[Si](C)(C)O[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O1960.3Standard non polar33892256
Argininic acid,3TMS,isomer #4C[Si](C)(C)O[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O3009.1Standard polar33892256
Argininic acid,3TMS,isomer #5C[Si](C)(C)N=C(NCCC[C@H](O[Si](C)(C)C)C(=O)O)N[Si](C)(C)C2073.7Semi standard non polar33892256
Argininic acid,3TMS,isomer #5C[Si](C)(C)N=C(NCCC[C@H](O[Si](C)(C)C)C(=O)O)N[Si](C)(C)C1747.3Standard non polar33892256
Argininic acid,3TMS,isomer #5C[Si](C)(C)N=C(NCCC[C@H](O[Si](C)(C)C)C(=O)O)N[Si](C)(C)C3165.0Standard polar33892256
Argininic acid,3TMS,isomer #6C[Si](C)(C)NC(=N)N(CCC[C@H](O[Si](C)(C)C)C(=O)O)[Si](C)(C)C2133.5Semi standard non polar33892256
Argininic acid,3TMS,isomer #6C[Si](C)(C)NC(=N)N(CCC[C@H](O[Si](C)(C)C)C(=O)O)[Si](C)(C)C1930.1Standard non polar33892256
Argininic acid,3TMS,isomer #6C[Si](C)(C)NC(=N)N(CCC[C@H](O[Si](C)(C)C)C(=O)O)[Si](C)(C)C3085.4Standard polar33892256
Argininic acid,3TMS,isomer #7C[Si](C)(C)N=C(N)N(CCC[C@H](O[Si](C)(C)C)C(=O)O)[Si](C)(C)C2029.8Semi standard non polar33892256
Argininic acid,3TMS,isomer #7C[Si](C)(C)N=C(N)N(CCC[C@H](O[Si](C)(C)C)C(=O)O)[Si](C)(C)C1779.3Standard non polar33892256
Argininic acid,3TMS,isomer #7C[Si](C)(C)N=C(N)N(CCC[C@H](O[Si](C)(C)C)C(=O)O)[Si](C)(C)C3247.9Standard polar33892256
Argininic acid,3TMS,isomer #8C[Si](C)(C)OC(=O)[C@@H](O)CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C2157.2Semi standard non polar33892256
Argininic acid,3TMS,isomer #8C[Si](C)(C)OC(=O)[C@@H](O)CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C1936.7Standard non polar33892256
Argininic acid,3TMS,isomer #8C[Si](C)(C)OC(=O)[C@@H](O)CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C2973.6Standard polar33892256
Argininic acid,3TMS,isomer #9C[Si](C)(C)N=C(NCCC[C@H](O)C(=O)O[Si](C)(C)C)N[Si](C)(C)C2047.8Semi standard non polar33892256
Argininic acid,3TMS,isomer #9C[Si](C)(C)N=C(NCCC[C@H](O)C(=O)O[Si](C)(C)C)N[Si](C)(C)C1696.6Standard non polar33892256
Argininic acid,3TMS,isomer #9C[Si](C)(C)N=C(NCCC[C@H](O)C(=O)O[Si](C)(C)C)N[Si](C)(C)C3131.7Standard polar33892256
Argininic acid,4TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2145.9Semi standard non polar33892256
Argininic acid,4TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2019.4Standard non polar33892256
Argininic acid,4TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2760.5Standard polar33892256
Argininic acid,4TMS,isomer #10C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](O)C(=O)O[Si](C)(C)C)[Si](C)(C)C2087.3Semi standard non polar33892256
Argininic acid,4TMS,isomer #10C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](O)C(=O)O[Si](C)(C)C)[Si](C)(C)C1818.9Standard non polar33892256
Argininic acid,4TMS,isomer #10C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](O)C(=O)O[Si](C)(C)C)[Si](C)(C)C2736.9Standard polar33892256
Argininic acid,4TMS,isomer #11C[Si](C)(C)N=C(N(CCC[C@H](O)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2191.6Semi standard non polar33892256
Argininic acid,4TMS,isomer #11C[Si](C)(C)N=C(N(CCC[C@H](O)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2046.3Standard non polar33892256
Argininic acid,4TMS,isomer #11C[Si](C)(C)N=C(N(CCC[C@H](O)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2650.6Standard polar33892256
Argininic acid,4TMS,isomer #2C[Si](C)(C)N=C(NCCC[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[Si](C)(C)C2075.5Semi standard non polar33892256
Argininic acid,4TMS,isomer #2C[Si](C)(C)N=C(NCCC[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[Si](C)(C)C1768.0Standard non polar33892256
Argininic acid,4TMS,isomer #2C[Si](C)(C)N=C(NCCC[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[Si](C)(C)C2911.5Standard polar33892256
Argininic acid,4TMS,isomer #3C[Si](C)(C)NC(=N)N(CCC[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2111.7Semi standard non polar33892256
Argininic acid,4TMS,isomer #3C[Si](C)(C)NC(=N)N(CCC[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C1959.8Standard non polar33892256
Argininic acid,4TMS,isomer #3C[Si](C)(C)NC(=N)N(CCC[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2810.8Standard polar33892256
Argininic acid,4TMS,isomer #4C[Si](C)(C)N=C(N)N(CCC[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2012.6Semi standard non polar33892256
Argininic acid,4TMS,isomer #4C[Si](C)(C)N=C(N)N(CCC[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C1795.8Standard non polar33892256
Argininic acid,4TMS,isomer #4C[Si](C)(C)N=C(N)N(CCC[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C3168.4Standard polar33892256
Argininic acid,4TMS,isomer #5C[Si](C)(C)O[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O2173.6Semi standard non polar33892256
Argininic acid,4TMS,isomer #5C[Si](C)(C)O[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O2104.0Standard non polar33892256
Argininic acid,4TMS,isomer #5C[Si](C)(C)O[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O2769.8Standard polar33892256
Argininic acid,4TMS,isomer #6C[Si](C)(C)N=C(NCCC[C@H](O[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2134.5Semi standard non polar33892256
Argininic acid,4TMS,isomer #6C[Si](C)(C)N=C(NCCC[C@H](O[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C1892.1Standard non polar33892256
Argininic acid,4TMS,isomer #6C[Si](C)(C)N=C(NCCC[C@H](O[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2760.1Standard polar33892256
Argininic acid,4TMS,isomer #7C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](O[Si](C)(C)C)C(=O)O)[Si](C)(C)C2110.8Semi standard non polar33892256
Argininic acid,4TMS,isomer #7C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](O[Si](C)(C)C)C(=O)O)[Si](C)(C)C1854.3Standard non polar33892256
Argininic acid,4TMS,isomer #7C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](O[Si](C)(C)C)C(=O)O)[Si](C)(C)C2766.1Standard polar33892256
Argininic acid,4TMS,isomer #8C[Si](C)(C)OC(=O)[C@@H](O)CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2128.0Semi standard non polar33892256
Argininic acid,4TMS,isomer #8C[Si](C)(C)OC(=O)[C@@H](O)CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2084.6Standard non polar33892256
Argininic acid,4TMS,isomer #8C[Si](C)(C)OC(=O)[C@@H](O)CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2740.5Standard polar33892256
Argininic acid,4TMS,isomer #9C[Si](C)(C)N=C(NCCC[C@H](O)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2095.5Semi standard non polar33892256
Argininic acid,4TMS,isomer #9C[Si](C)(C)N=C(NCCC[C@H](O)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1851.0Standard non polar33892256
Argininic acid,4TMS,isomer #9C[Si](C)(C)N=C(NCCC[C@H](O)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2731.7Standard polar33892256
Argininic acid,5TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2170.9Semi standard non polar33892256
Argininic acid,5TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2125.8Standard non polar33892256
Argininic acid,5TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2508.2Standard polar33892256
Argininic acid,5TMS,isomer #2C[Si](C)(C)N=C(NCCC[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2125.0Semi standard non polar33892256
Argininic acid,5TMS,isomer #2C[Si](C)(C)N=C(NCCC[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1890.6Standard non polar33892256
Argininic acid,5TMS,isomer #2C[Si](C)(C)N=C(NCCC[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2537.4Standard polar33892256
Argininic acid,5TMS,isomer #3C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2110.3Semi standard non polar33892256
Argininic acid,5TMS,isomer #3C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C1888.6Standard non polar33892256
Argininic acid,5TMS,isomer #3C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2531.5Standard polar33892256
Argininic acid,5TMS,isomer #4C[Si](C)(C)N=C(N(CCC[C@H](O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2187.6Semi standard non polar33892256
Argininic acid,5TMS,isomer #4C[Si](C)(C)N=C(N(CCC[C@H](O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2056.9Standard non polar33892256
Argininic acid,5TMS,isomer #4C[Si](C)(C)N=C(N(CCC[C@H](O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2366.6Standard polar33892256
Argininic acid,5TMS,isomer #5C[Si](C)(C)N=C(N(CCC[C@H](O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2167.7Semi standard non polar33892256
Argininic acid,5TMS,isomer #5C[Si](C)(C)N=C(N(CCC[C@H](O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2043.3Standard non polar33892256
Argininic acid,5TMS,isomer #5C[Si](C)(C)N=C(N(CCC[C@H](O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2349.5Standard polar33892256
Argininic acid,6TMS,isomer #1C[Si](C)(C)N=C(N(CCC[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2171.3Semi standard non polar33892256
Argininic acid,6TMS,isomer #1C[Si](C)(C)N=C(N(CCC[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2078.7Standard non polar33892256
Argininic acid,6TMS,isomer #1C[Si](C)(C)N=C(N(CCC[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2176.3Standard polar33892256
Argininic acid,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H](CCCNC(=N)N)C(=O)O2247.4Semi standard non polar33892256
Argininic acid,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@@H](O)CCCNC(=N)N2192.5Semi standard non polar33892256
Argininic acid,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](O)C(=O)O2381.0Semi standard non polar33892256
Argininic acid,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](O)C(=O)O2230.2Semi standard non polar33892256
Argininic acid,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(CCC[C@H](O)C(=O)O)C(=N)N2284.1Semi standard non polar33892256
Argininic acid,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)O[Si](C)(C)C(C)(C)C2467.8Semi standard non polar33892256
Argininic acid,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@H](O)C(=O)O)[Si](C)(C)C(C)(C)C2624.1Semi standard non polar33892256
Argininic acid,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](O)C(=O)O)[Si](C)(C)C(C)(C)C2502.2Semi standard non polar33892256
Argininic acid,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O2690.6Semi standard non polar33892256
Argininic acid,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O2538.8Semi standard non polar33892256
Argininic acid,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O2457.3Semi standard non polar33892256
Argininic acid,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](O)C(=O)O[Si](C)(C)C(C)(C)C2632.7Semi standard non polar33892256
Argininic acid,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)[C@@H](O)CCCN(C(=N)N)[Si](C)(C)C(C)(C)C2489.8Semi standard non polar33892256
Argininic acid,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](O)C(=O)O[Si](C)(C)C(C)(C)C2387.6Semi standard non polar33892256
Argininic acid,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)N(C(=N)NCCC[C@H](O)C(=O)O)[Si](C)(C)C(C)(C)C2630.4Semi standard non polar33892256
Argininic acid,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](O)C(=O)O)N[Si](C)(C)C(C)(C)C2557.5Semi standard non polar33892256
Argininic acid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2849.2Semi standard non polar33892256
Argininic acid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2410.1Standard non polar33892256
Argininic acid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3144.1Standard polar33892256
Argininic acid,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@H](O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2773.4Semi standard non polar33892256
Argininic acid,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@H](O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2479.8Standard non polar33892256
Argininic acid,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@H](O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3079.8Standard polar33892256
Argininic acid,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2659.4Semi standard non polar33892256
Argininic acid,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2306.1Standard non polar33892256
Argininic acid,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3333.8Standard polar33892256
Argininic acid,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2748.4Semi standard non polar33892256
Argininic acid,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2373.3Standard non polar33892256
Argininic acid,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3022.1Standard polar33892256
Argininic acid,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)N(CCC[C@H](O)C(=O)O)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2796.7Semi standard non polar33892256
Argininic acid,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)N(CCC[C@H](O)C(=O)O)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2589.5Standard non polar33892256
Argininic acid,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)N(CCC[C@H](O)C(=O)O)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3088.3Standard polar33892256
Argininic acid,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCC[C@H](O)C(=O)O)[Si](C)(C)C(C)(C)C2733.4Semi standard non polar33892256
Argininic acid,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCC[C@H](O)C(=O)O)[Si](C)(C)C(C)(C)C2303.4Standard non polar33892256
Argininic acid,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCC[C@H](O)C(=O)O)[Si](C)(C)C(C)(C)C3040.5Standard polar33892256
Argininic acid,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2677.0Semi standard non polar33892256
Argininic acid,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2440.5Standard non polar33892256
Argininic acid,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3358.6Standard polar33892256
Argininic acid,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2590.5Semi standard non polar33892256
Argininic acid,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2294.3Standard non polar33892256
Argininic acid,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3393.7Standard polar33892256
Argininic acid,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2828.9Semi standard non polar33892256
Argininic acid,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2504.4Standard non polar33892256
Argininic acid,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3053.1Standard polar33892256
Argininic acid,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O)N[Si](C)(C)C(C)(C)C2787.5Semi standard non polar33892256
Argininic acid,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O)N[Si](C)(C)C(C)(C)C2221.2Standard non polar33892256
Argininic acid,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O)N[Si](C)(C)C(C)(C)C3090.6Standard polar33892256
Argininic acid,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2832.0Semi standard non polar33892256
Argininic acid,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2480.3Standard non polar33892256
Argininic acid,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3101.0Standard polar33892256
Argininic acid,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2704.7Semi standard non polar33892256
Argininic acid,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2290.6Standard non polar33892256
Argininic acid,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3360.6Standard polar33892256
Argininic acid,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)[C@@H](O)CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2774.2Semi standard non polar33892256
Argininic acid,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)[C@@H](O)CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2494.6Standard non polar33892256
Argininic acid,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)[C@@H](O)CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3032.7Standard polar33892256
Argininic acid,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](O)C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C2727.0Semi standard non polar33892256
Argininic acid,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](O)C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C2219.6Standard non polar33892256
Argininic acid,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](O)C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3069.7Standard polar33892256
Argininic acid,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2977.3Semi standard non polar33892256
Argininic acid,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2705.1Standard non polar33892256
Argininic acid,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2954.1Standard polar33892256
Argininic acid,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCC[C@H](O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2890.2Semi standard non polar33892256
Argininic acid,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCC[C@H](O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2482.4Standard non polar33892256
Argininic acid,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCC[C@H](O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2925.5Standard polar33892256
Argininic acid,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](O)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2986.9Semi standard non polar33892256
Argininic acid,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](O)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2677.0Standard non polar33892256
Argininic acid,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](O)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2850.0Standard polar33892256
Argininic acid,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C2917.8Semi standard non polar33892256
Argininic acid,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C2431.7Standard non polar33892256
Argininic acid,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C2985.6Standard polar33892256
Argininic acid,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2972.3Semi standard non polar33892256
Argininic acid,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2666.5Standard non polar33892256
Argininic acid,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2989.0Standard polar33892256
Argininic acid,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2869.5Semi standard non polar33892256
Argininic acid,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2483.7Standard non polar33892256
Argininic acid,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3344.5Standard polar33892256
Argininic acid,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H](CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3025.8Semi standard non polar33892256
Argininic acid,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H](CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2779.8Standard non polar33892256
Argininic acid,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H](CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2966.3Standard polar33892256
Argininic acid,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2977.0Semi standard non polar33892256
Argininic acid,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2508.9Standard non polar33892256
Argininic acid,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2916.1Standard polar33892256
Argininic acid,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2948.6Semi standard non polar33892256
Argininic acid,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2461.7Standard non polar33892256
Argininic acid,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2934.3Standard polar33892256
Argininic acid,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)[C@@H](O)CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2974.6Semi standard non polar33892256
Argininic acid,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)[C@@H](O)CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2792.6Standard non polar33892256
Argininic acid,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)[C@@H](O)CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2958.8Standard polar33892256
Argininic acid,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](O)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2914.4Semi standard non polar33892256
Argininic acid,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](O)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2536.9Standard non polar33892256
Argininic acid,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](O)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2909.4Standard polar33892256
Argininic acid,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3198.9Semi standard non polar33892256
Argininic acid,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2968.9Standard non polar33892256
Argininic acid,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2862.3Standard polar33892256
Argininic acid,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3101.5Semi standard non polar33892256
Argininic acid,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2729.9Standard non polar33892256
Argininic acid,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2840.9Standard polar33892256
Argininic acid,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3088.3Semi standard non polar33892256
Argininic acid,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2692.4Standard non polar33892256
Argininic acid,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2872.3Standard polar33892256
Argininic acid,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3229.8Semi standard non polar33892256
Argininic acid,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2843.8Standard non polar33892256
Argininic acid,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2757.5Standard polar33892256
Argininic acid,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3165.7Semi standard non polar33892256
Argininic acid,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2882.0Standard non polar33892256
Argininic acid,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2756.3Standard polar33892256
Argininic acid,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](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)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3371.6Semi standard non polar33892256
Argininic acid,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](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)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3051.6Standard non polar33892256
Argininic acid,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](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)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2755.8Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Argininic acid GC-MS (Non-derivatized) - 70eV, Positivesplash10-0096-9200000000-6f302c47d64e02269bc92017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Argininic acid GC-MS (2 TMS) - 70eV, Positivesplash10-00di-9141000000-1aead8bbea065a0186d52017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Argininic acid GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Argininic acid 10V, Positive-QTOFsplash10-057i-1900000000-2d1d1cee3d00998505202016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Argininic acid 20V, Positive-QTOFsplash10-03dl-8900000000-cd768aaed4580f086b7b2016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Argininic acid 40V, Positive-QTOFsplash10-03dl-9000000000-469fb41d2217ab0e39662016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Argininic acid 10V, Negative-QTOFsplash10-0089-2900000000-27145a1db9569918a58e2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Argininic acid 20V, Negative-QTOFsplash10-0540-9600000000-a8f091526c1341099a192016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Argininic acid 40V, Negative-QTOFsplash10-052f-9000000000-f2333a264a75ca0fbc452016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Argininic acid 10V, Positive-QTOFsplash10-00or-3900000000-b8247dfeffc01b9940fd2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Argininic acid 20V, Positive-QTOFsplash10-00di-9300000000-185d5bb26980fe95eef52021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Argininic acid 40V, Positive-QTOFsplash10-022c-9000000000-2b53c47edc989c217d242021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Argininic acid 10V, Negative-QTOFsplash10-001i-0900000000-e738b0eaa5e2d6c8f10c2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Argininic acid 20V, Negative-QTOFsplash10-001i-3900000000-6a75d81dbc8726c0fd502021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Argininic acid 40V, Negative-QTOFsplash10-0006-9000000000-1c8520c5f7efb1187e432021-09-23Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
  • Feces
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified0.2 (0.015-0.44) uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified0.12 +/- 0.02 uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified<0.440 uMAdult (>18 years old)Both
Normal
details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified0.25 (0.015-0.5) uMAdult (>18 years old)BothCirrhosis details
BloodDetected and Quantified0.33 +/- 0.11 uMAdult (>18 years old)Bothuremia details
BloodDetected and Quantified0.460 +/- 0.320 uMAdult (>18 years old)Both
Uremia
details
UrineDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedCancer patients undergoing total body irradiation details
Associated Disorders and Diseases
Disease References
Cirrhosis
  1. Marescau B, De Deyn PP, Holvoet J, Possemiers I, Nagels G, Saxena V, Mahler C: Guanidino compounds in serum and urine of cirrhotic patients. Metabolism. 1995 May;44(5):584-8. [PubMed:7752905 ]
Uremia
  1. Duranton F, Cohen G, De Smet R, Rodriguez M, Jankowski J, Vanholder R, Argiles A: Normal and pathologic concentrations of uremic toxins. J Am Soc Nephrol. 2012 Jul;23(7):1258-70. doi: 10.1681/ASN.2011121175. Epub 2012 May 24. [PubMed:22626821 ]
  2. Vanholder R, De Smet R, Glorieux G, Argiles A, Baurmeister U, Brunet P, Clark W, Cohen G, De Deyn PP, Deppisch R, Descamps-Latscha B, Henle T, Jorres A, Lemke HD, Massy ZA, Passlick-Deetjen J, Rodriguez M, Stegmayr B, Stenvinkel P, Tetta C, Wanner C, Zidek W: Review on uremic toxins: classification, concentration, and interindividual variability. Kidney Int. 2003 May;63(5):1934-43. doi: 10.1046/j.1523-1755.2003.00924.x. [PubMed:12675874 ]
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB023114
KNApSAcK IDNot Available
Chemspider ID140984
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound160437
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. Mizutani N, Hayakawa C, Ohya Y, Watanabe K, Watanabe Y, Mori A: Guanidino compounds in hyperargininemia. Tohoku J Exp Med. 1987 Nov;153(3):197-205. [PubMed:3433275 ]
  2. Balz D, de Souza Wyse AT, Morsch VM, da Silva AC, Vieira VL, Morsch AL, Schetinger MR: In vitro effects of L-arginine and guanidino compounds on NTPDase1 and 5'-nucleotidase activities from rat brain synaptosomes. Int J Dev Neurosci. 2003 Apr;21(2):75-82. [PubMed:12615083 ]
  3. Duranton F, Cohen G, De Smet R, Rodriguez M, Jankowski J, Vanholder R, Argiles A: Normal and pathologic concentrations of uremic toxins. J Am Soc Nephrol. 2012 Jul;23(7):1258-70. doi: 10.1681/ASN.2011121175. Epub 2012 May 24. [PubMed:22626821 ]