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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2006-05-22 15:12:37 UTC
Update Date2023-02-21 17:16:33 UTC
HMDB IDHMDB0003157
Secondary Accession Numbers
  • HMDB03157
Metabolite Identification
Common NameGuanidinosuccinic acid
DescriptionGuanidinosuccinic acid (GSA) has been identified as a uremic toxin according to the European Uremic Toxin Working Group (PMID:22626821 ). It is one of the earliest uremic toxins isolated and its toxicity identified. Its metabolic origins show that it arose from the oxidation of argininosuccinic acid (ASA) by free radicals. The stimulus for this oxidation, occurring optimally in the presence of the failed kidney, is the rising level of urea which, through enzyme inhibition, results in a decline in hepatic levels of the semi-essential amino acid, arginine. It is further noted that concentrations of GSA in both serum and urine decline sharply in animals and humans exposed to the essential amino acid, methionine. Uremic patients suffer from a defective ability to generate methyl groups due to anorexia, dietary restrictions and renal protein leakage. This leads to the accumulation of homocysteine, a substance known to produce vascular damage. Even in healthy subjects intake of choline together with methionine is insufficient to satisfy total metabolic requirements for methyl groups. In end-stage renal disease, therefore, protein restriction contributes to the build-up of toxins in uremia. Replacement using specific amino acid mixtures should be directed toward identified deficiencies and adequacy monitored by following serum levels of the related toxins, in this case GSA and homocysteine. (PMID 12701806 ).
Structure
Data?1676999793
Synonyms
ValueSource
(2S)-2-Carbamimidamidobutanedioic acidChEBI
L-N-Amidinoaspartic acidChEBI
N-(Aminoiminomethyl)-L-aspartic acidChEBI
N-Amidino-L-aspartic acidKegg
(2S)-2-CarbamimidamidobutanedioateGenerator
L-N-AmidinoaspartateGenerator
N-(Aminoiminomethyl)-L-aspartateGenerator
N-Amidino-L-aspartateGenerator
GuanidinosuccinateGenerator
N-Carbamimidoyl-L-aspartic acidHMDB
Guanidinosuccinic acid, (DL)-isomerMeSH, HMDB
Guanidinosuccinic acidChEBI
Chemical FormulaC5H9N3O4
Average Molecular Weight175.1427
Monoisotopic Molecular Weight175.059305791
IUPAC Name(2S)-2-carbamimidamidobutanedioic acid
Traditional NameN-amidino-L-aspartic acid
CAS Registry Number6133-30-8
SMILES
NC(=N)N[C@@H](CC(O)=O)C(O)=O
InChI Identifier
InChI=1S/C5H9N3O4/c6-5(7)8-2(4(11)12)1-3(9)10/h2H,1H2,(H,9,10)(H,11,12)(H4,6,7,8)/t2-/m0/s1
InChI KeyVVHOUVWJCQOYGG-REOHCLBHSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as aspartic acid and derivatives. Aspartic acid and derivatives are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentAspartic acid and derivatives
Alternative Parents
Substituents
  • Aspartic acid or derivatives
  • Dicarboxylic acid or derivatives
  • Fatty acid
  • Guanidine
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • Carboximidamide
  • Carboxylic acid
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organic nitrogen compound
  • Carbonyl group
  • Organic oxide
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
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
LogP-2.068Not Available
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M-H]-Not Available130.4http://allccs.zhulab.cn/database/detail?ID=AllCCS00002066
[M+H]+Not Available137.1http://allccs.zhulab.cn/database/detail?ID=AllCCS00002066
Predicted Molecular Properties
PropertyValueSource
Water Solubility2.82 g/LALOGPS
logP-1.6ALOGPS
logP-3.3ChemAxon
logS-1.8ALOGPS
pKa (Strongest Acidic)2.98ChemAxon
pKa (Strongest Basic)12.23ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area136.5 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity47.25 m³·mol⁻¹ChemAxon
Polarizability15.13 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]+138.78831661259
DarkChem[M-H]-133.91931661259
DeepCCS[M+H]+134.71730932474
DeepCCS[M-H]-131.74330932474
DeepCCS[M-2H]-168.27430932474
DeepCCS[M+Na]+143.81330932474
AllCCS[M+H]+139.632859911
AllCCS[M+H-H2O]+135.732859911
AllCCS[M+NH4]+143.132859911
AllCCS[M+Na]+144.132859911
AllCCS[M-H]-131.532859911
AllCCS[M+Na-2H]-133.132859911
AllCCS[M+HCOO]-134.832859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Guanidinosuccinic acidNC(=N)N[C@@H](CC(O)=O)C(O)=O3023.5Standard polar33892256
Guanidinosuccinic acidNC(=N)N[C@@H](CC(O)=O)C(O)=O1682.6Standard non polar33892256
Guanidinosuccinic acidNC(=N)N[C@@H](CC(O)=O)C(O)=O2262.7Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Guanidinosuccinic acid,1TMS,isomer #1C[Si](C)(C)OC(=O)C[C@H](NC(=N)N)C(=O)O1934.6Semi standard non polar33892256
Guanidinosuccinic acid,1TMS,isomer #2C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=N)N1863.1Semi standard non polar33892256
Guanidinosuccinic acid,1TMS,isomer #3C[Si](C)(C)NC(=N)N[C@@H](CC(=O)O)C(=O)O1995.9Semi standard non polar33892256
Guanidinosuccinic acid,1TMS,isomer #4C[Si](C)(C)N=C(N)N[C@@H](CC(=O)O)C(=O)O1884.5Semi standard non polar33892256
Guanidinosuccinic acid,1TMS,isomer #5C[Si](C)(C)N(C(=N)N)[C@@H](CC(=O)O)C(=O)O1948.6Semi standard non polar33892256
Guanidinosuccinic acid,2TMS,isomer #1C[Si](C)(C)OC(=O)C[C@H](NC(=N)N)C(=O)O[Si](C)(C)C1932.9Semi standard non polar33892256
Guanidinosuccinic acid,2TMS,isomer #10C[Si](C)(C)NC(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C2072.3Semi standard non polar33892256
Guanidinosuccinic acid,2TMS,isomer #11C[Si](C)(C)N=C(N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C1951.3Semi standard non polar33892256
Guanidinosuccinic acid,2TMS,isomer #2C[Si](C)(C)NC(=N)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O2073.7Semi standard non polar33892256
Guanidinosuccinic acid,2TMS,isomer #3C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)N)[Si](C)(C)C1941.7Semi standard non polar33892256
Guanidinosuccinic acid,2TMS,isomer #4C[Si](C)(C)N=C(N)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O1929.9Semi standard non polar33892256
Guanidinosuccinic acid,2TMS,isomer #5C[Si](C)(C)NC(=N)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C2033.7Semi standard non polar33892256
Guanidinosuccinic acid,2TMS,isomer #6C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=N)N)[Si](C)(C)C1935.2Semi standard non polar33892256
Guanidinosuccinic acid,2TMS,isomer #7C[Si](C)(C)N=C(N)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C1924.1Semi standard non polar33892256
Guanidinosuccinic acid,2TMS,isomer #8C[Si](C)(C)N(C(=N)N[C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C2098.0Semi standard non polar33892256
Guanidinosuccinic acid,2TMS,isomer #9C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O)N[Si](C)(C)C1988.5Semi standard non polar33892256
Guanidinosuccinic acid,3TMS,isomer #1C[Si](C)(C)NC(=N)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C2113.9Semi standard non polar33892256
Guanidinosuccinic acid,3TMS,isomer #1C[Si](C)(C)NC(=N)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C1840.5Standard non polar33892256
Guanidinosuccinic acid,3TMS,isomer #1C[Si](C)(C)NC(=N)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3328.1Standard polar33892256
Guanidinosuccinic acid,3TMS,isomer #10C[Si](C)(C)NC(=N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C2050.5Semi standard non polar33892256
Guanidinosuccinic acid,3TMS,isomer #10C[Si](C)(C)NC(=N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C1899.7Standard non polar33892256
Guanidinosuccinic acid,3TMS,isomer #10C[Si](C)(C)NC(=N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C3133.1Standard polar33892256
Guanidinosuccinic acid,3TMS,isomer #11C[Si](C)(C)N=C(N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C1932.0Semi standard non polar33892256
Guanidinosuccinic acid,3TMS,isomer #11C[Si](C)(C)N=C(N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C1747.2Standard non polar33892256
Guanidinosuccinic acid,3TMS,isomer #11C[Si](C)(C)N=C(N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C3328.1Standard polar33892256
Guanidinosuccinic acid,3TMS,isomer #12C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2083.5Semi standard non polar33892256
Guanidinosuccinic acid,3TMS,isomer #12C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C1914.8Standard non polar33892256
Guanidinosuccinic acid,3TMS,isomer #12C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C3178.8Standard polar33892256
Guanidinosuccinic acid,3TMS,isomer #13C[Si](C)(C)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC(=O)O)C(=O)O2132.4Semi standard non polar33892256
Guanidinosuccinic acid,3TMS,isomer #13C[Si](C)(C)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC(=O)O)C(=O)O2009.1Standard non polar33892256
Guanidinosuccinic acid,3TMS,isomer #13C[Si](C)(C)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC(=O)O)C(=O)O3130.0Standard polar33892256
Guanidinosuccinic acid,3TMS,isomer #14C[Si](C)(C)N=C(N[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C2021.3Semi standard non polar33892256
Guanidinosuccinic acid,3TMS,isomer #14C[Si](C)(C)N=C(N[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C1858.8Standard non polar33892256
Guanidinosuccinic acid,3TMS,isomer #14C[Si](C)(C)N=C(N[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C3121.2Standard polar33892256
Guanidinosuccinic acid,3TMS,isomer #2C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=N)N)[Si](C)(C)C1935.1Semi standard non polar33892256
Guanidinosuccinic acid,3TMS,isomer #2C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=N)N)[Si](C)(C)C1834.9Standard non polar33892256
Guanidinosuccinic acid,3TMS,isomer #2C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=N)N)[Si](C)(C)C3395.2Standard polar33892256
Guanidinosuccinic acid,3TMS,isomer #3C[Si](C)(C)N=C(N)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C1935.8Semi standard non polar33892256
Guanidinosuccinic acid,3TMS,isomer #3C[Si](C)(C)N=C(N)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C1716.8Standard non polar33892256
Guanidinosuccinic acid,3TMS,isomer #3C[Si](C)(C)N=C(N)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3428.8Standard polar33892256
Guanidinosuccinic acid,3TMS,isomer #4C[Si](C)(C)OC(=O)C[C@H](NC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2122.5Semi standard non polar33892256
Guanidinosuccinic acid,3TMS,isomer #4C[Si](C)(C)OC(=O)C[C@H](NC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O1957.7Standard non polar33892256
Guanidinosuccinic acid,3TMS,isomer #4C[Si](C)(C)OC(=O)C[C@H](NC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O3159.2Standard polar33892256
Guanidinosuccinic acid,3TMS,isomer #5C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N[Si](C)(C)C2019.7Semi standard non polar33892256
Guanidinosuccinic acid,3TMS,isomer #5C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N[Si](C)(C)C1711.2Standard non polar33892256
Guanidinosuccinic acid,3TMS,isomer #5C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N[Si](C)(C)C3334.7Standard polar33892256
Guanidinosuccinic acid,3TMS,isomer #6C[Si](C)(C)NC(=N)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C2048.3Semi standard non polar33892256
Guanidinosuccinic acid,3TMS,isomer #6C[Si](C)(C)NC(=N)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C1926.0Standard non polar33892256
Guanidinosuccinic acid,3TMS,isomer #6C[Si](C)(C)NC(=N)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C3190.6Standard polar33892256
Guanidinosuccinic acid,3TMS,isomer #7C[Si](C)(C)N=C(N)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C1924.2Semi standard non polar33892256
Guanidinosuccinic acid,3TMS,isomer #7C[Si](C)(C)N=C(N)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C1776.2Standard non polar33892256
Guanidinosuccinic acid,3TMS,isomer #7C[Si](C)(C)N=C(N)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C3371.1Standard polar33892256
Guanidinosuccinic acid,3TMS,isomer #8C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=N)N([Si](C)(C)C)[Si](C)(C)C2102.7Semi standard non polar33892256
Guanidinosuccinic acid,3TMS,isomer #8C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=N)N([Si](C)(C)C)[Si](C)(C)C1940.1Standard non polar33892256
Guanidinosuccinic acid,3TMS,isomer #8C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=N)N([Si](C)(C)C)[Si](C)(C)C3065.9Standard polar33892256
Guanidinosuccinic acid,3TMS,isomer #9C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N[Si](C)(C)C2014.7Semi standard non polar33892256
Guanidinosuccinic acid,3TMS,isomer #9C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N[Si](C)(C)C1700.6Standard non polar33892256
Guanidinosuccinic acid,3TMS,isomer #9C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N[Si](C)(C)C3241.5Standard polar33892256
Guanidinosuccinic acid,4TMS,isomer #1C[Si](C)(C)OC(=O)C[C@H](NC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2142.5Semi standard non polar33892256
Guanidinosuccinic acid,4TMS,isomer #1C[Si](C)(C)OC(=O)C[C@H](NC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C1987.7Standard non polar33892256
Guanidinosuccinic acid,4TMS,isomer #1C[Si](C)(C)OC(=O)C[C@H](NC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2853.5Standard polar33892256
Guanidinosuccinic acid,4TMS,isomer #10C[Si](C)(C)N=C(N[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C2036.6Semi standard non polar33892256
Guanidinosuccinic acid,4TMS,isomer #10C[Si](C)(C)N=C(N[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C1820.4Standard non polar33892256
Guanidinosuccinic acid,4TMS,isomer #10C[Si](C)(C)N=C(N[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C2788.3Standard polar33892256
Guanidinosuccinic acid,4TMS,isomer #11C[Si](C)(C)N=C(N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2115.1Semi standard non polar33892256
Guanidinosuccinic acid,4TMS,isomer #11C[Si](C)(C)N=C(N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2036.8Standard non polar33892256
Guanidinosuccinic acid,4TMS,isomer #11C[Si](C)(C)N=C(N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2662.9Standard polar33892256
Guanidinosuccinic acid,4TMS,isomer #2C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[Si](C)(C)C2067.6Semi standard non polar33892256
Guanidinosuccinic acid,4TMS,isomer #2C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[Si](C)(C)C1701.2Standard non polar33892256
Guanidinosuccinic acid,4TMS,isomer #2C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[Si](C)(C)C3025.5Standard polar33892256
Guanidinosuccinic acid,4TMS,isomer #3C[Si](C)(C)NC(=N)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2069.1Semi standard non polar33892256
Guanidinosuccinic acid,4TMS,isomer #3C[Si](C)(C)NC(=N)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C1945.0Standard non polar33892256
Guanidinosuccinic acid,4TMS,isomer #3C[Si](C)(C)NC(=N)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2888.7Standard polar33892256
Guanidinosuccinic acid,4TMS,isomer #4C[Si](C)(C)N=C(N)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C1956.9Semi standard non polar33892256
Guanidinosuccinic acid,4TMS,isomer #4C[Si](C)(C)N=C(N)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C1771.6Standard non polar33892256
Guanidinosuccinic acid,4TMS,isomer #4C[Si](C)(C)N=C(N)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C3252.1Standard polar33892256
Guanidinosuccinic acid,4TMS,isomer #5C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2103.9Semi standard non polar33892256
Guanidinosuccinic acid,4TMS,isomer #5C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2098.8Standard non polar33892256
Guanidinosuccinic acid,4TMS,isomer #5C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2858.1Standard polar33892256
Guanidinosuccinic acid,4TMS,isomer #6C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2087.8Semi standard non polar33892256
Guanidinosuccinic acid,4TMS,isomer #6C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C1854.4Standard non polar33892256
Guanidinosuccinic acid,4TMS,isomer #6C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2903.2Standard polar33892256
Guanidinosuccinic acid,4TMS,isomer #7C[Si](C)(C)N=C(N[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C2004.4Semi standard non polar33892256
Guanidinosuccinic acid,4TMS,isomer #7C[Si](C)(C)N=C(N[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C1838.8Standard non polar33892256
Guanidinosuccinic acid,4TMS,isomer #7C[Si](C)(C)N=C(N[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C2846.7Standard polar33892256
Guanidinosuccinic acid,4TMS,isomer #8C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2115.7Semi standard non polar33892256
Guanidinosuccinic acid,4TMS,isomer #8C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2075.9Standard non polar33892256
Guanidinosuccinic acid,4TMS,isomer #8C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2799.6Standard polar33892256
Guanidinosuccinic acid,4TMS,isomer #9C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2083.1Semi standard non polar33892256
Guanidinosuccinic acid,4TMS,isomer #9C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1847.8Standard non polar33892256
Guanidinosuccinic acid,4TMS,isomer #9C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2814.8Standard polar33892256
Guanidinosuccinic acid,5TMS,isomer #1C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2124.8Semi standard non polar33892256
Guanidinosuccinic acid,5TMS,isomer #1C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2101.5Standard non polar33892256
Guanidinosuccinic acid,5TMS,isomer #1C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2579.8Standard polar33892256
Guanidinosuccinic acid,5TMS,isomer #2C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2120.4Semi standard non polar33892256
Guanidinosuccinic acid,5TMS,isomer #2C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1851.0Standard non polar33892256
Guanidinosuccinic acid,5TMS,isomer #2C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2639.3Standard polar33892256
Guanidinosuccinic acid,5TMS,isomer #3C[Si](C)(C)N=C(N[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2062.9Semi standard non polar33892256
Guanidinosuccinic acid,5TMS,isomer #3C[Si](C)(C)N=C(N[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C1849.7Standard non polar33892256
Guanidinosuccinic acid,5TMS,isomer #3C[Si](C)(C)N=C(N[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2593.8Standard polar33892256
Guanidinosuccinic acid,5TMS,isomer #4C[Si](C)(C)N=C(N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2099.8Semi standard non polar33892256
Guanidinosuccinic acid,5TMS,isomer #4C[Si](C)(C)N=C(N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2037.3Standard non polar33892256
Guanidinosuccinic acid,5TMS,isomer #4C[Si](C)(C)N=C(N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2438.7Standard polar33892256
Guanidinosuccinic acid,5TMS,isomer #5C[Si](C)(C)N=C(N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2120.3Semi standard non polar33892256
Guanidinosuccinic acid,5TMS,isomer #5C[Si](C)(C)N=C(N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2021.3Standard non polar33892256
Guanidinosuccinic acid,5TMS,isomer #5C[Si](C)(C)N=C(N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2377.4Standard polar33892256
Guanidinosuccinic acid,6TMS,isomer #1C[Si](C)(C)N=C(N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2123.6Semi standard non polar33892256
Guanidinosuccinic acid,6TMS,isomer #1C[Si](C)(C)N=C(N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2048.6Standard non polar33892256
Guanidinosuccinic acid,6TMS,isomer #1C[Si](C)(C)N=C(N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2227.3Standard polar33892256
Guanidinosuccinic acid,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC(=N)N)C(=O)O2201.3Semi standard non polar33892256
Guanidinosuccinic acid,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=N)N2142.6Semi standard non polar33892256
Guanidinosuccinic acid,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=N)N[C@@H](CC(=O)O)C(=O)O2261.8Semi standard non polar33892256
Guanidinosuccinic acid,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(N)N[C@@H](CC(=O)O)C(=O)O2154.2Semi standard non polar33892256
Guanidinosuccinic acid,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(C(=N)N)[C@@H](CC(=O)O)C(=O)O2207.1Semi standard non polar33892256
Guanidinosuccinic acid,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC(=N)N)C(=O)O[Si](C)(C)C(C)(C)C2413.9Semi standard non polar33892256
Guanidinosuccinic acid,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C2506.7Semi standard non polar33892256
Guanidinosuccinic acid,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)N=C(N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C2376.6Semi standard non polar33892256
Guanidinosuccinic acid,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=N)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O2588.3Semi standard non polar33892256
Guanidinosuccinic acid,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)N)[Si](C)(C)C(C)(C)C2445.1Semi standard non polar33892256
Guanidinosuccinic acid,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(N)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O2398.6Semi standard non polar33892256
Guanidinosuccinic acid,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(=N)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C2533.8Semi standard non polar33892256
Guanidinosuccinic acid,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=N)N)[Si](C)(C)C(C)(C)C2425.1Semi standard non polar33892256
Guanidinosuccinic acid,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(N)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C2372.5Semi standard non polar33892256
Guanidinosuccinic acid,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)N(C(=N)N[C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C2513.1Semi standard non polar33892256
Guanidinosuccinic acid,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O)N[Si](C)(C)C(C)(C)C2451.5Semi standard non polar33892256
Guanidinosuccinic acid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=N)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2772.1Semi standard non polar33892256
Guanidinosuccinic acid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=N)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2386.0Standard non polar33892256
Guanidinosuccinic acid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=N)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3227.0Standard polar33892256
Guanidinosuccinic acid,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC(=N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2722.4Semi standard non polar33892256
Guanidinosuccinic acid,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC(=N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2442.7Standard non polar33892256
Guanidinosuccinic acid,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC(=N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3118.3Standard polar33892256
Guanidinosuccinic acid,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)N=C(N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2595.6Semi standard non polar33892256
Guanidinosuccinic acid,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)N=C(N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2239.9Standard non polar33892256
Guanidinosuccinic acid,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)N=C(N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3404.9Standard polar33892256
Guanidinosuccinic acid,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2660.4Semi standard non polar33892256
Guanidinosuccinic acid,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2344.5Standard non polar33892256
Guanidinosuccinic acid,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3076.7Standard polar33892256
Guanidinosuccinic acid,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)N(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC(=O)O)C(=O)O2700.3Semi standard non polar33892256
Guanidinosuccinic acid,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)N(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC(=O)O)C(=O)O2552.0Standard non polar33892256
Guanidinosuccinic acid,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)N(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC(=O)O)C(=O)O3090.8Standard polar33892256
Guanidinosuccinic acid,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C2621.2Semi standard non polar33892256
Guanidinosuccinic acid,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C2247.8Standard non polar33892256
Guanidinosuccinic acid,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C3042.4Standard polar33892256
Guanidinosuccinic acid,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=N)N)[Si](C)(C)C(C)(C)C2597.6Semi standard non polar33892256
Guanidinosuccinic acid,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=N)N)[Si](C)(C)C(C)(C)C2407.9Standard non polar33892256
Guanidinosuccinic acid,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=N)N)[Si](C)(C)C(C)(C)C3430.7Standard polar33892256
Guanidinosuccinic acid,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(N)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2576.4Semi standard non polar33892256
Guanidinosuccinic acid,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(N)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2257.8Standard non polar33892256
Guanidinosuccinic acid,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(N)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3478.6Standard polar33892256
Guanidinosuccinic acid,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2735.0Semi standard non polar33892256
Guanidinosuccinic acid,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2517.2Standard non polar33892256
Guanidinosuccinic acid,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3137.6Standard polar33892256
Guanidinosuccinic acid,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)N[Si](C)(C)C(C)(C)C2678.8Semi standard non polar33892256
Guanidinosuccinic acid,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)N[Si](C)(C)C(C)(C)C2169.1Standard non polar33892256
Guanidinosuccinic acid,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)N[Si](C)(C)C(C)(C)C3188.8Standard polar33892256
Guanidinosuccinic acid,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(=N)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2724.1Semi standard non polar33892256
Guanidinosuccinic acid,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(=N)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2456.4Standard non polar33892256
Guanidinosuccinic acid,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(=N)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3152.1Standard polar33892256
Guanidinosuccinic acid,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(N)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2603.6Semi standard non polar33892256
Guanidinosuccinic acid,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(N)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2250.7Standard non polar33892256
Guanidinosuccinic acid,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(N)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3432.3Standard polar33892256
Guanidinosuccinic acid,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2711.8Semi standard non polar33892256
Guanidinosuccinic acid,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2498.0Standard non polar33892256
Guanidinosuccinic acid,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3095.4Standard polar33892256
Guanidinosuccinic acid,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C2660.5Semi standard non polar33892256
Guanidinosuccinic acid,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C2166.0Standard non polar33892256
Guanidinosuccinic acid,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3137.9Standard polar33892256
Guanidinosuccinic acid,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2936.1Semi standard non polar33892256
Guanidinosuccinic acid,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2684.4Standard non polar33892256
Guanidinosuccinic acid,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3027.2Standard polar33892256
Guanidinosuccinic acid,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2839.7Semi standard non polar33892256
Guanidinosuccinic acid,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2419.6Standard non polar33892256
Guanidinosuccinic acid,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2954.0Standard polar33892256
Guanidinosuccinic acid,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)N=C(N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2881.4Semi standard non polar33892256
Guanidinosuccinic acid,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)N=C(N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2631.9Standard non polar33892256
Guanidinosuccinic acid,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)N=C(N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2868.8Standard polar33892256
Guanidinosuccinic acid,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C2870.3Semi standard non polar33892256
Guanidinosuccinic acid,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C2343.9Standard non polar33892256
Guanidinosuccinic acid,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3061.7Standard polar33892256
Guanidinosuccinic acid,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=N)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2900.8Semi standard non polar33892256
Guanidinosuccinic acid,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=N)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2631.1Standard non polar33892256
Guanidinosuccinic acid,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=N)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3038.4Standard polar33892256
Guanidinosuccinic acid,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(N)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2786.6Semi standard non polar33892256
Guanidinosuccinic acid,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(N)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2445.5Standard non polar33892256
Guanidinosuccinic acid,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(N)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3396.8Standard polar33892256
Guanidinosuccinic acid,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2927.4Semi standard non polar33892256
Guanidinosuccinic acid,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2763.3Standard non polar33892256
Guanidinosuccinic acid,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3020.6Standard polar33892256
Guanidinosuccinic acid,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2889.6Semi standard non polar33892256
Guanidinosuccinic acid,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2474.2Standard non polar33892256
Guanidinosuccinic acid,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3012.2Standard polar33892256
Guanidinosuccinic acid,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2823.7Semi standard non polar33892256
Guanidinosuccinic acid,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2423.7Standard non polar33892256
Guanidinosuccinic acid,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2987.5Standard polar33892256
Guanidinosuccinic acid,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2929.9Semi standard non polar33892256
Guanidinosuccinic acid,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2753.9Standard non polar33892256
Guanidinosuccinic acid,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2989.4Standard polar33892256
Guanidinosuccinic acid,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2889.2Semi standard non polar33892256
Guanidinosuccinic acid,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2471.1Standard non polar33892256
Guanidinosuccinic acid,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2966.7Standard polar33892256
Guanidinosuccinic acid,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3137.8Semi standard non polar33892256
Guanidinosuccinic acid,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2941.8Standard non polar33892256
Guanidinosuccinic acid,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2907.7Standard polar33892256
Guanidinosuccinic acid,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3095.2Semi standard non polar33892256
Guanidinosuccinic acid,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2663.6Standard non polar33892256
Guanidinosuccinic acid,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2916.8Standard polar33892256
Guanidinosuccinic acid,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3011.1Semi standard non polar33892256
Guanidinosuccinic acid,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2636.8Standard non polar33892256
Guanidinosuccinic acid,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2917.0Standard polar33892256
Guanidinosuccinic acid,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3115.9Semi standard non polar33892256
Guanidinosuccinic acid,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2822.9Standard non polar33892256
Guanidinosuccinic acid,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2813.1Standard polar33892256
Guanidinosuccinic acid,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C(N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3126.7Semi standard non polar33892256
Guanidinosuccinic acid,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C(N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2822.0Standard non polar33892256
Guanidinosuccinic acid,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C(N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2779.1Standard polar33892256
Guanidinosuccinic acid,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C(N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3315.1Semi standard non polar33892256
Guanidinosuccinic acid,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C(N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3021.9Standard non polar33892256
Guanidinosuccinic acid,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C(N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2799.1Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Guanidinosuccinic acid GC-MS (Non-derivatized) - 70eV, Positivesplash10-000x-9600000000-6898be602fa231388ab52017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Guanidinosuccinic acid GC-MS (2 TMS) - 70eV, Positivesplash10-00di-9282000000-37ec05543d3d8d30ad152017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Guanidinosuccinic acid GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Guanidinosuccinic acid Quattro_QQQ 10V, Positive-QTOF (Annotated)splash10-004i-1900000000-466615ceb5129f0853332012-07-25HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Guanidinosuccinic acid Quattro_QQQ 25V, Positive-QTOF (Annotated)splash10-00di-9000000000-e5868bbf32c1407fa0302012-07-25HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Guanidinosuccinic acid Quattro_QQQ 40V, Positive-QTOF (Annotated)splash10-006x-9000000000-f34cd801b9c1e714a6fc2012-07-25HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Guanidinosuccinic acid 20V, Negative-QTOFsplash10-000i-9200000000-2cad41f1508b5f26c3a42021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Guanidinosuccinic acid 20V, Positive-QTOFsplash10-0079-9100000000-05168c0ae4e3fdabfb732021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Guanidinosuccinic acid 35V, Positive-QTOFsplash10-004i-3900000000-df5df4302173fb4e9d292021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Guanidinosuccinic acid 10V, Negative-QTOFsplash10-001r-5900000000-a31472885115c01298852021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Guanidinosuccinic acid 40V, Positive-QTOFsplash10-0006-9000000000-36781515ea42c79fcca52021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Guanidinosuccinic acid 10V, Positive-QTOFsplash10-005i-5900000000-37fe8d8d0c84140e147c2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Guanidinosuccinic acid 40V, Positive-QTOFsplash10-0006-9000000000-ba089dcdaa7d9545ac432021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Guanidinosuccinic acid 35V, Negative-QTOFsplash10-005i-2900000000-d58d2731ca71e2359e242021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Guanidinosuccinic acid 35V, Positive-QTOFsplash10-005i-3900000000-e366d1ed9f73879bd47f2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Guanidinosuccinic acid 40V, Positive-QTOFsplash10-0006-9000000000-49e8a9df2b750e4946852021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Guanidinosuccinic acid 40V, Negative-QTOFsplash10-0a4r-9000000000-948b748bb9ac50e676a12021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Guanidinosuccinic acid 20V, Positive-QTOFsplash10-00dr-9100000000-ac4c3bddfe7b0a568fff2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Guanidinosuccinic acid 10V, Positive-QTOFsplash10-004i-2900000000-e7544c898162e6c51b542021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Guanidinosuccinic acid 10V, Positive-QTOFsplash10-004i-3900000000-f755abe1d2fcfc810e3f2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Guanidinosuccinic acid 20V, Positive-QTOFsplash10-0079-9200000000-78e26e891d49a63dc6b62021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Guanidinosuccinic acid 10V, Positive-QTOFsplash10-0a4i-0900000000-766bed5b22ec642474b72017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Guanidinosuccinic acid 20V, Positive-QTOFsplash10-090r-6900000000-c59abb9d78dd85396ad92017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Guanidinosuccinic acid 40V, Positive-QTOFsplash10-03di-9000000000-809ece24ff681a9892302017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Guanidinosuccinic acid 10V, Negative-QTOFsplash10-0089-1900000000-ab305bd5f1306019d2bb2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Guanidinosuccinic acid 20V, Negative-QTOFsplash10-0a5i-9500000000-e46a9bb7a8167700416d2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Guanidinosuccinic acid 40V, Negative-QTOFsplash10-0006-9000000000-cf381fa0309c6e1df17d2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Guanidinosuccinic acid 10V, Negative-QTOFsplash10-02a9-6900000000-3e4021155970f30bc06c2021-09-23Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 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, 1000 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, 200 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, 300 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, 400 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, 500 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, 600 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, 700 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, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Experimental 1D NMR1H NMR Spectrum (1D, 600 MHz, H2O, experimental)2021-10-10Wishart LabView Spectrum
Experimental 2D NMR[1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental)2012-12-05Wishart LabView Spectrum

IR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)2023-02-03FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)2023-02-03FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)2023-02-03FELIX labView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm (predicted from logP)
Biospecimen Locations
  • Blood
  • Cellular Cytoplasm
  • Cerebrospinal Fluid (CSF)
  • Feces
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified0.75 (0.37-1.13) uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified0.259 +/- 0.096 uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified0.4 +/- 0.2 uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified0.17 +/- 0.057 uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified0.4 +/- 0.2 uMAdult (>18 years old)Not SpecifiedNormal
    • Geigy Scientific ...
details
BloodDetected and Quantified0.171 +/- 0.0571 uMAdult (>18 years old)Both
Normal
details
BloodDetected and Quantified0.18 +/- 0.14 uMAdult (>18 years old)BothNormal details
Cellular CytoplasmDetected and Quantified0.2 +/- 0.5 uMAdult (>18 years old)BothNormal
    • Geigy Scientific ...
details
Cerebrospinal Fluid (CSF)Detected and Quantified0.09 (0.05-0.13) uMAdult (>18 years old)BothNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified<8.6 uMAdult (>18 years old)BothNormal
    • Geigy Scientific ...
details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
UrineDetected and Quantified4.0 +/- 2.0 umol/mmol creatinineAdult (>18 years old)BothNormal
    • Geigy Scientific ...
    • West Cadwell, N.J...
    • Basel, Switzerlan...
details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
UrineDetected and Quantified1.48 (1.06-1.90) umol/mmol creatinineAdult (>18 years old)BothNormal details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified0.11 +/- 0.106 uMAdult (>18 years old)BothCirrhosis details
BloodDetected and Quantified20.1 +/- 1.6 uMAdult (>18 years old)BothChronic renal failure details
BloodDetected and Quantified8.17 +/- 1.71 uMAdult (>18 years old)Bothuremia details
BloodDetected and Quantified37.143 +/- 19.429 uMAdult (>18 years old)Both
Uremia
details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothBladder cancer 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 ]
Chronic renal failure
  1. Kikuchi T, Orita Y, Ando A, Mikami H, Fujii M, Okada A, Abe H: Liquid-chromatographic determination of guanidino compounds in plasma and erythrocyte of normal persons and uremic patients. Clin Chem. 1981 Nov;27(11):1899-902. [PubMed:7296840 ]
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 IDFDB023116
KNApSAcK IDNot Available
Chemspider ID388951
KEGG Compound IDC03139
BioCyc IDCPD-599
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN ID10
PubChem Compound439918
PDB IDNot Available
ChEBI ID17072
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDMDB00013446
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Cohen BD: Methyl group deficiency and guanidino production in uremia. Mol Cell Biochem. 2003 Feb;244(1-2):31-6. [PubMed:12701806 ]
  2. 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 ]
  3. Torremans A, Marescau B, Van Dam D, Van Ginneken C, Van Meir F, Van Bogaert PP, D'Hooge R, de Vente J, De Deyn PP: GSA: behavioral, histological, electrophysiological and neurochemical effects. Physiol Behav. 2005 Feb 15;84(2):251-64. Epub 2005 Jan 8. [PubMed:15708777 ]
  4. 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 ]