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Record Information

Version

5.0

Status

Detected and Quantified

Creation Date

2006-05-22 15:12:37 UTC

Update Date

2023-02-21 17:16:33 UTC

HMDB ID

HMDB0003157

Secondary Accession Numbers

HMDB03157

Metabolite Identification

Common Name

Guanidinosuccinic acid

Description

Guanidinosuccinic 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

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

HEADER    PROTEIN                                 27-MAY-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-MAY-19         0                                  
HETATM    1  O   UNK     0      33.310 -14.424   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0      26.642 -13.654   0.000  0.00  0.00           O+0
HETATM    3  N   UNK     0      30.643 -15.964   0.000  0.00  0.00           N+0
HETATM    4  O   UNK     0      27.976 -15.964   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      31.977 -12.115   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      30.643 -14.424   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      27.976 -14.424   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      31.977 -13.654   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      29.309 -13.654   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      31.977 -16.734   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0      31.977 -18.274   0.000  0.00  0.00           N+0
HETATM   12  N   UNK     0      33.310 -15.964   0.000  0.00  0.00           N+0
CONECT    1    8                                                            
CONECT    2    7                                                            
CONECT    3    6   10                                                       
CONECT    4    7                                                            
CONECT    5    8                                                            
CONECT    6    3    8    9                                                  
CONECT    7    2    4    9                                                  
CONECT    8    1    5    6                                                  
CONECT    9    6    7                                                       
CONECT   10   11   12    3                                                  
CONECT   11   10                                                            
CONECT   12   10                                                            
MASTER        0    0    0    0    0    0    0    0   12    0   22    0
END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
(2S)-2-Carbamimidamidobutanedioic acid	ChEBI
L-N-Amidinoaspartic acid	ChEBI
N-(Aminoiminomethyl)-L-aspartic acid	ChEBI
N-Amidino-L-aspartic acid	Kegg
(2S)-2-Carbamimidamidobutanedioate	Generator
L-N-Amidinoaspartate	Generator
N-(Aminoiminomethyl)-L-aspartate	Generator
N-Amidino-L-aspartate	Generator
Guanidinosuccinate	Generator
N-Carbamimidoyl-L-aspartic acid	HMDB
Guanidinosuccinic acid, (DL)-isomer	MeSH, HMDB
Guanidinosuccinic acid	ChEBI

Chemical Formula

C₅H₉N₃O₄

Average Molecular Weight

175.1427

Monoisotopic Molecular Weight

175.059305791

IUPAC Name

(2S)-2-carbamimidamidobutanedioic acid

Traditional Name

N-amidino-L-aspartic acid

CAS Registry Number

6133-30-8

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 Key

VVHOUVWJCQOYGG-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.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Aspartic 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 Framework

Aliphatic acyclic compounds

External Descriptors

guanidines (CHEBI:17072 )
C4-dicarboxylic acid (CHEBI:17072 )
L-aspartic acid derivative (CHEBI:17072 )
N-amidino-amino acid (CHEBI:17072 )

Ontology

Physiological effect

Health effect

Renal system and urinary system

Renal disorder

Chronic kidney disease (HMDB: HMDB0003157)
Chronic kidney disease (HMDB: HMDB0003157)
Uremia (HMDB: HMDB0003157)
Kidney disease (HMDB: HMDB0003157)

Nervous system disorder

Central nervous system disorder

Psychiatric disorder

Coma (HMDB: HMDB0003157)
Convulsion (HMDB: HMDB0003157)

Circulatory system disorder

Cardiac disorder

Cardiovascular disease (HMDB: HMDB0003157)

Bleeding (HMDB: HMDB0003157)
Weight loss (HMDB: HMDB0003157)

Digestive system disorder

Gastrointestinal disorder

Nausea (HMDB: HMDB0003157)
Vomiting (HMDB: HMDB0003157)

Hepatobiliary disorder

Hepatic disorder

Cirrhosis (HMDB: HMDB0003157)

Disposition

Biological location

Cellular substructure

Cytoplasm (HMDB: HMDB0003157)
Membrane (HMDB: HMDB0003157)

Non-excretory biofluid

Biofluid or Excreta

Blood (HMDB: HMDB0003157)
Cerebrospinal fluid (HMDB: HMDB0003157)
Cerebrospinal Fluid (CSF) (PMID: 3433275)
Cellular Cytoplasm (HMDB: HMDB0003157)

Excreta

Biofluid or Excreta

Urine (HMDB: HMDB0003157)
Feces (PMID: 27543620)

Route of exposure

Parenteral

Dermal (HMDB: HMDB0003157)

Enteral

Ingestion (HMDB: HMDB0003157)

Source

Endogenous

Endogenous (HMDB: HMDB0003157)

Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)
Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)

Equine

Horse (FooDB: FOOD00378)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Process

Not Available

Role

Industrial application

Pharmaceutical industry

Biomarker

Chronic Renal Failure (MarkerDB: MDB00013446)
Chronic kidney disease (MarkerDB: MDB00013446)
Uremia (MarkerDB: MDB00013446)
Cirrhosis (MarkerDB: MDB00013446)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	-2.068	Not Available

Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct Type	Data Source	CCS Value (Å²)	Reference
[M-H]-	Not Available	130.4	http://allccs.zhulab.cn/database/detail?ID=AllCCS00002066
[M+H]+	Not Available	137.1	http://allccs.zhulab.cn/database/detail?ID=AllCCS00002066

Predicted Molecular Properties

Property	Value	Source
Water Solubility	2.82 g/L	ALOGPS
logP	-1.6	ALOGPS
logP	-3.3	ChemAxon
logS	-1.8	ALOGPS
pKa (Strongest Acidic)	2.98	ChemAxon
pKa (Strongest Basic)	12.23	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	136.5 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	47.25 m³·mol⁻¹	ChemAxon
Polarizability	15.13 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	138.788	31661259
DarkChem	[M-H]-	133.919	31661259
DeepCCS	[M+H]+	134.717	30932474
DeepCCS	[M-H]-	131.743	30932474
DeepCCS	[M-2H]-	168.274	30932474
DeepCCS	[M+Na]+	143.813	30932474
AllCCS	[M+H]+	139.6	32859911
AllCCS	[M+H-H2O]+	135.7	32859911
AllCCS	[M+NH4]+	143.1	32859911
AllCCS	[M+Na]+	144.1	32859911
AllCCS	[M-H]-	131.5	32859911
AllCCS	[M+Na-2H]-	133.1	32859911
AllCCS	[M+HCOO]-	134.8	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Guanidinosuccinic acid	NC(=N)N[C@@H](CC(O)=O)C(O)=O	3023.5	Standard polar	33892256
Guanidinosuccinic acid	NC(=N)N[C@@H](CC(O)=O)C(O)=O	1682.6	Standard non polar	33892256
Guanidinosuccinic acid	NC(=N)N[C@@H](CC(O)=O)C(O)=O	2262.7	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Guanidinosuccinic acid,1TMS,isomer #1	C[Si](C)(C)OC(=O)C[C@H](NC(=N)N)C(=O)O	1934.6	Semi standard non polar	33892256
Guanidinosuccinic acid,1TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=N)N	1863.1	Semi standard non polar	33892256
Guanidinosuccinic acid,1TMS,isomer #3	C[Si](C)(C)NC(=N)N[C@@H](CC(=O)O)C(=O)O	1995.9	Semi standard non polar	33892256
Guanidinosuccinic acid,1TMS,isomer #4	C[Si](C)(C)N=C(N)N[C@@H](CC(=O)O)C(=O)O	1884.5	Semi standard non polar	33892256
Guanidinosuccinic acid,1TMS,isomer #5	C[Si](C)(C)N(C(=N)N)[C@@H](CC(=O)O)C(=O)O	1948.6	Semi standard non polar	33892256
Guanidinosuccinic acid,2TMS,isomer #1	C[Si](C)(C)OC(=O)C[C@H](NC(=N)N)C(=O)O[Si](C)(C)C	1932.9	Semi standard non polar	33892256
Guanidinosuccinic acid,2TMS,isomer #10	C[Si](C)(C)NC(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	2072.3	Semi standard non polar	33892256
Guanidinosuccinic acid,2TMS,isomer #11	C[Si](C)(C)N=C(N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	1951.3	Semi standard non polar	33892256
Guanidinosuccinic acid,2TMS,isomer #2	C[Si](C)(C)NC(=N)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O	2073.7	Semi standard non polar	33892256
Guanidinosuccinic acid,2TMS,isomer #3	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)N)[Si](C)(C)C	1941.7	Semi standard non polar	33892256
Guanidinosuccinic acid,2TMS,isomer #4	C[Si](C)(C)N=C(N)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O	1929.9	Semi standard non polar	33892256
Guanidinosuccinic acid,2TMS,isomer #5	C[Si](C)(C)NC(=N)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C	2033.7	Semi standard non polar	33892256
Guanidinosuccinic acid,2TMS,isomer #6	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=N)N)[Si](C)(C)C	1935.2	Semi standard non polar	33892256
Guanidinosuccinic acid,2TMS,isomer #7	C[Si](C)(C)N=C(N)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C	1924.1	Semi standard non polar	33892256
Guanidinosuccinic acid,2TMS,isomer #8	C[Si](C)(C)N(C(=N)N[C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	2098.0	Semi standard non polar	33892256
Guanidinosuccinic acid,2TMS,isomer #9	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O)N[Si](C)(C)C	1988.5	Semi standard non polar	33892256
Guanidinosuccinic acid,3TMS,isomer #1	C[Si](C)(C)NC(=N)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2113.9	Semi standard non polar	33892256
Guanidinosuccinic acid,3TMS,isomer #1	C[Si](C)(C)NC(=N)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	1840.5	Standard non polar	33892256
Guanidinosuccinic acid,3TMS,isomer #1	C[Si](C)(C)NC(=N)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3328.1	Standard polar	33892256
Guanidinosuccinic acid,3TMS,isomer #10	C[Si](C)(C)NC(=N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2050.5	Semi standard non polar	33892256
Guanidinosuccinic acid,3TMS,isomer #10	C[Si](C)(C)NC(=N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	1899.7	Standard non polar	33892256
Guanidinosuccinic acid,3TMS,isomer #10	C[Si](C)(C)NC(=N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3133.1	Standard polar	33892256
Guanidinosuccinic acid,3TMS,isomer #11	C[Si](C)(C)N=C(N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	1932.0	Semi standard non polar	33892256
Guanidinosuccinic acid,3TMS,isomer #11	C[Si](C)(C)N=C(N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	1747.2	Standard non polar	33892256
Guanidinosuccinic acid,3TMS,isomer #11	C[Si](C)(C)N=C(N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3328.1	Standard polar	33892256
Guanidinosuccinic acid,3TMS,isomer #12	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2083.5	Semi standard non polar	33892256
Guanidinosuccinic acid,3TMS,isomer #12	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	1914.8	Standard non polar	33892256
Guanidinosuccinic acid,3TMS,isomer #12	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3178.8	Standard polar	33892256
Guanidinosuccinic acid,3TMS,isomer #13	C[Si](C)(C)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC(=O)O)C(=O)O	2132.4	Semi standard non polar	33892256
Guanidinosuccinic acid,3TMS,isomer #13	C[Si](C)(C)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC(=O)O)C(=O)O	2009.1	Standard non polar	33892256
Guanidinosuccinic acid,3TMS,isomer #13	C[Si](C)(C)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC(=O)O)C(=O)O	3130.0	Standard polar	33892256
Guanidinosuccinic acid,3TMS,isomer #14	C[Si](C)(C)N=C(N[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	2021.3	Semi standard non polar	33892256
Guanidinosuccinic acid,3TMS,isomer #14	C[Si](C)(C)N=C(N[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	1858.8	Standard non polar	33892256
Guanidinosuccinic acid,3TMS,isomer #14	C[Si](C)(C)N=C(N[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	3121.2	Standard polar	33892256
Guanidinosuccinic acid,3TMS,isomer #2	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=N)N)[Si](C)(C)C	1935.1	Semi standard non polar	33892256
Guanidinosuccinic acid,3TMS,isomer #2	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=N)N)[Si](C)(C)C	1834.9	Standard non polar	33892256
Guanidinosuccinic acid,3TMS,isomer #2	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=N)N)[Si](C)(C)C	3395.2	Standard polar	33892256
Guanidinosuccinic acid,3TMS,isomer #3	C[Si](C)(C)N=C(N)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	1935.8	Semi standard non polar	33892256
Guanidinosuccinic acid,3TMS,isomer #3	C[Si](C)(C)N=C(N)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	1716.8	Standard non polar	33892256
Guanidinosuccinic acid,3TMS,isomer #3	C[Si](C)(C)N=C(N)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3428.8	Standard polar	33892256
Guanidinosuccinic acid,3TMS,isomer #4	C[Si](C)(C)OC(=O)C[C@H](NC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2122.5	Semi standard non polar	33892256
Guanidinosuccinic acid,3TMS,isomer #4	C[Si](C)(C)OC(=O)C[C@H](NC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	1957.7	Standard non polar	33892256
Guanidinosuccinic acid,3TMS,isomer #4	C[Si](C)(C)OC(=O)C[C@H](NC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3159.2	Standard polar	33892256
Guanidinosuccinic acid,3TMS,isomer #5	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	2019.7	Semi standard non polar	33892256
Guanidinosuccinic acid,3TMS,isomer #5	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	1711.2	Standard non polar	33892256
Guanidinosuccinic acid,3TMS,isomer #5	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	3334.7	Standard polar	33892256
Guanidinosuccinic acid,3TMS,isomer #6	C[Si](C)(C)NC(=N)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2048.3	Semi standard non polar	33892256
Guanidinosuccinic acid,3TMS,isomer #6	C[Si](C)(C)NC(=N)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	1926.0	Standard non polar	33892256
Guanidinosuccinic acid,3TMS,isomer #6	C[Si](C)(C)NC(=N)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3190.6	Standard polar	33892256
Guanidinosuccinic acid,3TMS,isomer #7	C[Si](C)(C)N=C(N)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	1924.2	Semi standard non polar	33892256
Guanidinosuccinic acid,3TMS,isomer #7	C[Si](C)(C)N=C(N)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	1776.2	Standard non polar	33892256
Guanidinosuccinic acid,3TMS,isomer #7	C[Si](C)(C)N=C(N)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3371.1	Standard polar	33892256
Guanidinosuccinic acid,3TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=N)N([Si](C)(C)C)[Si](C)(C)C	2102.7	Semi standard non polar	33892256
Guanidinosuccinic acid,3TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=N)N([Si](C)(C)C)[Si](C)(C)C	1940.1	Standard non polar	33892256
Guanidinosuccinic acid,3TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=N)N([Si](C)(C)C)[Si](C)(C)C	3065.9	Standard polar	33892256
Guanidinosuccinic acid,3TMS,isomer #9	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	2014.7	Semi standard non polar	33892256
Guanidinosuccinic acid,3TMS,isomer #9	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	1700.6	Standard non polar	33892256
Guanidinosuccinic acid,3TMS,isomer #9	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	3241.5	Standard polar	33892256
Guanidinosuccinic acid,4TMS,isomer #1	C[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)C	2142.5	Semi standard non polar	33892256
Guanidinosuccinic acid,4TMS,isomer #1	C[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)C	1987.7	Standard non polar	33892256
Guanidinosuccinic acid,4TMS,isomer #1	C[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)C	2853.5	Standard polar	33892256
Guanidinosuccinic acid,4TMS,isomer #10	C[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)C	2036.6	Semi standard non polar	33892256
Guanidinosuccinic acid,4TMS,isomer #10	C[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)C	1820.4	Standard non polar	33892256
Guanidinosuccinic acid,4TMS,isomer #10	C[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)C	2788.3	Standard polar	33892256
Guanidinosuccinic acid,4TMS,isomer #11	C[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)C	2115.1	Semi standard non polar	33892256
Guanidinosuccinic acid,4TMS,isomer #11	C[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)C	2036.8	Standard non polar	33892256
Guanidinosuccinic acid,4TMS,isomer #11	C[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)C	2662.9	Standard polar	33892256
Guanidinosuccinic acid,4TMS,isomer #2	C[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	2067.6	Semi standard non polar	33892256
Guanidinosuccinic acid,4TMS,isomer #2	C[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	1701.2	Standard non polar	33892256
Guanidinosuccinic acid,4TMS,isomer #2	C[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	3025.5	Standard polar	33892256
Guanidinosuccinic acid,4TMS,isomer #3	C[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)C	2069.1	Semi standard non polar	33892256
Guanidinosuccinic acid,4TMS,isomer #3	C[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)C	1945.0	Standard non polar	33892256
Guanidinosuccinic acid,4TMS,isomer #3	C[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)C	2888.7	Standard polar	33892256
Guanidinosuccinic acid,4TMS,isomer #4	C[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)C	1956.9	Semi standard non polar	33892256
Guanidinosuccinic acid,4TMS,isomer #4	C[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)C	1771.6	Standard non polar	33892256
Guanidinosuccinic acid,4TMS,isomer #4	C[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)C	3252.1	Standard polar	33892256
Guanidinosuccinic acid,4TMS,isomer #5	C[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)C	2103.9	Semi standard non polar	33892256
Guanidinosuccinic acid,4TMS,isomer #5	C[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)C	2098.8	Standard non polar	33892256
Guanidinosuccinic acid,4TMS,isomer #5	C[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)C	2858.1	Standard polar	33892256
Guanidinosuccinic acid,4TMS,isomer #6	C[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)C	2087.8	Semi standard non polar	33892256
Guanidinosuccinic acid,4TMS,isomer #6	C[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)C	1854.4	Standard non polar	33892256
Guanidinosuccinic acid,4TMS,isomer #6	C[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)C	2903.2	Standard polar	33892256
Guanidinosuccinic acid,4TMS,isomer #7	C[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	2004.4	Semi standard non polar	33892256
Guanidinosuccinic acid,4TMS,isomer #7	C[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	1838.8	Standard non polar	33892256
Guanidinosuccinic acid,4TMS,isomer #7	C[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	2846.7	Standard polar	33892256
Guanidinosuccinic acid,4TMS,isomer #8	C[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)C	2115.7	Semi standard non polar	33892256
Guanidinosuccinic acid,4TMS,isomer #8	C[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)C	2075.9	Standard non polar	33892256
Guanidinosuccinic acid,4TMS,isomer #8	C[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)C	2799.6	Standard polar	33892256
Guanidinosuccinic acid,4TMS,isomer #9	C[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)C	2083.1	Semi standard non polar	33892256
Guanidinosuccinic acid,4TMS,isomer #9	C[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)C	1847.8	Standard non polar	33892256
Guanidinosuccinic acid,4TMS,isomer #9	C[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)C	2814.8	Standard polar	33892256
Guanidinosuccinic acid,5TMS,isomer #1	C[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)C	2124.8	Semi standard non polar	33892256
Guanidinosuccinic acid,5TMS,isomer #1	C[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)C	2101.5	Standard non polar	33892256
Guanidinosuccinic acid,5TMS,isomer #1	C[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)C	2579.8	Standard polar	33892256
Guanidinosuccinic acid,5TMS,isomer #2	C[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)C	2120.4	Semi standard non polar	33892256
Guanidinosuccinic acid,5TMS,isomer #2	C[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)C	1851.0	Standard non polar	33892256
Guanidinosuccinic acid,5TMS,isomer #2	C[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)C	2639.3	Standard polar	33892256
Guanidinosuccinic acid,5TMS,isomer #3	C[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)C	2062.9	Semi standard non polar	33892256
Guanidinosuccinic acid,5TMS,isomer #3	C[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)C	1849.7	Standard non polar	33892256
Guanidinosuccinic acid,5TMS,isomer #3	C[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)C	2593.8	Standard polar	33892256
Guanidinosuccinic acid,5TMS,isomer #4	C[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)C	2099.8	Semi standard non polar	33892256
Guanidinosuccinic acid,5TMS,isomer #4	C[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)C	2037.3	Standard non polar	33892256
Guanidinosuccinic acid,5TMS,isomer #4	C[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)C	2438.7	Standard polar	33892256
Guanidinosuccinic acid,5TMS,isomer #5	C[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)C	2120.3	Semi standard non polar	33892256
Guanidinosuccinic acid,5TMS,isomer #5	C[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)C	2021.3	Standard non polar	33892256
Guanidinosuccinic acid,5TMS,isomer #5	C[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)C	2377.4	Standard polar	33892256
Guanidinosuccinic acid,6TMS,isomer #1	C[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)C	2123.6	Semi standard non polar	33892256
Guanidinosuccinic acid,6TMS,isomer #1	C[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)C	2048.6	Standard non polar	33892256
Guanidinosuccinic acid,6TMS,isomer #1	C[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)C	2227.3	Standard polar	33892256
Guanidinosuccinic acid,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC(=N)N)C(=O)O	2201.3	Semi standard non polar	33892256
Guanidinosuccinic acid,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=N)N	2142.6	Semi standard non polar	33892256
Guanidinosuccinic acid,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=N)N[C@@H](CC(=O)O)C(=O)O	2261.8	Semi standard non polar	33892256
Guanidinosuccinic acid,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(N)N[C@@H](CC(=O)O)C(=O)O	2154.2	Semi standard non polar	33892256
Guanidinosuccinic acid,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C(=N)N)[C@@H](CC(=O)O)C(=O)O	2207.1	Semi standard non polar	33892256
Guanidinosuccinic acid,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC(=N)N)C(=O)O[Si](C)(C)C(C)(C)C	2413.9	Semi standard non polar	33892256
Guanidinosuccinic acid,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	2506.7	Semi standard non polar	33892256
Guanidinosuccinic acid,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C(N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	2376.6	Semi standard non polar	33892256
Guanidinosuccinic acid,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=N)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	2588.3	Semi standard non polar	33892256
Guanidinosuccinic acid,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)N)[Si](C)(C)C(C)(C)C	2445.1	Semi standard non polar	33892256
Guanidinosuccinic acid,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(N)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	2398.6	Semi standard non polar	33892256
Guanidinosuccinic acid,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=N)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	2533.8	Semi standard non polar	33892256
Guanidinosuccinic acid,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=N)N)[Si](C)(C)C(C)(C)C	2425.1	Semi standard non polar	33892256
Guanidinosuccinic acid,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(N)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	2372.5	Semi standard non polar	33892256
Guanidinosuccinic acid,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N(C(=N)N[C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	2513.1	Semi standard non polar	33892256
Guanidinosuccinic acid,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O)N[Si](C)(C)C(C)(C)C	2451.5	Semi standard non polar	33892256
Guanidinosuccinic acid,3TBDMS,isomer #1	CC(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	2772.1	Semi standard non polar	33892256
Guanidinosuccinic acid,3TBDMS,isomer #1	CC(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	2386.0	Standard non polar	33892256
Guanidinosuccinic acid,3TBDMS,isomer #1	CC(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	3227.0	Standard polar	33892256
Guanidinosuccinic acid,3TBDMS,isomer #10	CC(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)C	2722.4	Semi standard non polar	33892256
Guanidinosuccinic acid,3TBDMS,isomer #10	CC(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)C	2442.7	Standard non polar	33892256
Guanidinosuccinic acid,3TBDMS,isomer #10	CC(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)C	3118.3	Standard polar	33892256
Guanidinosuccinic acid,3TBDMS,isomer #11	CC(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)C	2595.6	Semi standard non polar	33892256
Guanidinosuccinic acid,3TBDMS,isomer #11	CC(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)C	2239.9	Standard non polar	33892256
Guanidinosuccinic acid,3TBDMS,isomer #11	CC(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)C	3404.9	Standard polar	33892256
Guanidinosuccinic acid,3TBDMS,isomer #12	CC(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)C	2660.4	Semi standard non polar	33892256
Guanidinosuccinic acid,3TBDMS,isomer #12	CC(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)C	2344.5	Standard non polar	33892256
Guanidinosuccinic acid,3TBDMS,isomer #12	CC(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)C	3076.7	Standard polar	33892256
Guanidinosuccinic acid,3TBDMS,isomer #13	CC(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)O	2700.3	Semi standard non polar	33892256
Guanidinosuccinic acid,3TBDMS,isomer #13	CC(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)O	2552.0	Standard non polar	33892256
Guanidinosuccinic acid,3TBDMS,isomer #13	CC(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)O	3090.8	Standard polar	33892256
Guanidinosuccinic acid,3TBDMS,isomer #14	CC(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	2621.2	Semi standard non polar	33892256
Guanidinosuccinic acid,3TBDMS,isomer #14	CC(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	2247.8	Standard non polar	33892256
Guanidinosuccinic acid,3TBDMS,isomer #14	CC(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	3042.4	Standard polar	33892256
Guanidinosuccinic acid,3TBDMS,isomer #2	CC(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	2597.6	Semi standard non polar	33892256
Guanidinosuccinic acid,3TBDMS,isomer #2	CC(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	2407.9	Standard non polar	33892256
Guanidinosuccinic acid,3TBDMS,isomer #2	CC(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	3430.7	Standard polar	33892256
Guanidinosuccinic acid,3TBDMS,isomer #3	CC(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	2576.4	Semi standard non polar	33892256
Guanidinosuccinic acid,3TBDMS,isomer #3	CC(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	2257.8	Standard non polar	33892256
Guanidinosuccinic acid,3TBDMS,isomer #3	CC(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	3478.6	Standard polar	33892256
Guanidinosuccinic acid,3TBDMS,isomer #4	CC(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	2735.0	Semi standard non polar	33892256
Guanidinosuccinic acid,3TBDMS,isomer #4	CC(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	2517.2	Standard non polar	33892256
Guanidinosuccinic acid,3TBDMS,isomer #4	CC(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	3137.6	Standard polar	33892256
Guanidinosuccinic acid,3TBDMS,isomer #5	CC(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	2678.8	Semi standard non polar	33892256
Guanidinosuccinic acid,3TBDMS,isomer #5	CC(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	2169.1	Standard non polar	33892256
Guanidinosuccinic acid,3TBDMS,isomer #5	CC(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	3188.8	Standard polar	33892256
Guanidinosuccinic acid,3TBDMS,isomer #6	CC(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	2724.1	Semi standard non polar	33892256
Guanidinosuccinic acid,3TBDMS,isomer #6	CC(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	2456.4	Standard non polar	33892256
Guanidinosuccinic acid,3TBDMS,isomer #6	CC(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	3152.1	Standard polar	33892256
Guanidinosuccinic acid,3TBDMS,isomer #7	CC(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	2603.6	Semi standard non polar	33892256
Guanidinosuccinic acid,3TBDMS,isomer #7	CC(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	2250.7	Standard non polar	33892256
Guanidinosuccinic acid,3TBDMS,isomer #7	CC(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	3432.3	Standard polar	33892256
Guanidinosuccinic acid,3TBDMS,isomer #8	CC(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)C	2711.8	Semi standard non polar	33892256
Guanidinosuccinic acid,3TBDMS,isomer #8	CC(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)C	2498.0	Standard non polar	33892256
Guanidinosuccinic acid,3TBDMS,isomer #8	CC(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)C	3095.4	Standard polar	33892256
Guanidinosuccinic acid,3TBDMS,isomer #9	CC(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	2660.5	Semi standard non polar	33892256
Guanidinosuccinic acid,3TBDMS,isomer #9	CC(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	2166.0	Standard non polar	33892256
Guanidinosuccinic acid,3TBDMS,isomer #9	CC(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	3137.9	Standard polar	33892256
Guanidinosuccinic acid,4TBDMS,isomer #1	CC(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)C	2936.1	Semi standard non polar	33892256
Guanidinosuccinic acid,4TBDMS,isomer #1	CC(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)C	2684.4	Standard non polar	33892256
Guanidinosuccinic acid,4TBDMS,isomer #1	CC(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)C	3027.2	Standard polar	33892256
Guanidinosuccinic acid,4TBDMS,isomer #10	CC(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)C	2839.7	Semi standard non polar	33892256
Guanidinosuccinic acid,4TBDMS,isomer #10	CC(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)C	2419.6	Standard non polar	33892256
Guanidinosuccinic acid,4TBDMS,isomer #10	CC(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)C	2954.0	Standard polar	33892256
Guanidinosuccinic acid,4TBDMS,isomer #11	CC(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)C	2881.4	Semi standard non polar	33892256
Guanidinosuccinic acid,4TBDMS,isomer #11	CC(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)C	2631.9	Standard non polar	33892256
Guanidinosuccinic acid,4TBDMS,isomer #11	CC(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)C	2868.8	Standard polar	33892256
Guanidinosuccinic acid,4TBDMS,isomer #2	CC(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	2870.3	Semi standard non polar	33892256
Guanidinosuccinic acid,4TBDMS,isomer #2	CC(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	2343.9	Standard non polar	33892256
Guanidinosuccinic acid,4TBDMS,isomer #2	CC(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	3061.7	Standard polar	33892256
Guanidinosuccinic acid,4TBDMS,isomer #3	CC(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)C	2900.8	Semi standard non polar	33892256
Guanidinosuccinic acid,4TBDMS,isomer #3	CC(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)C	2631.1	Standard non polar	33892256
Guanidinosuccinic acid,4TBDMS,isomer #3	CC(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)C	3038.4	Standard polar	33892256
Guanidinosuccinic acid,4TBDMS,isomer #4	CC(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)C	2786.6	Semi standard non polar	33892256
Guanidinosuccinic acid,4TBDMS,isomer #4	CC(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)C	2445.5	Standard non polar	33892256
Guanidinosuccinic acid,4TBDMS,isomer #4	CC(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)C	3396.8	Standard polar	33892256
Guanidinosuccinic acid,4TBDMS,isomer #5	CC(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)C	2927.4	Semi standard non polar	33892256
Guanidinosuccinic acid,4TBDMS,isomer #5	CC(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)C	2763.3	Standard non polar	33892256
Guanidinosuccinic acid,4TBDMS,isomer #5	CC(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)C	3020.6	Standard polar	33892256
Guanidinosuccinic acid,4TBDMS,isomer #6	CC(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)C	2889.6	Semi standard non polar	33892256
Guanidinosuccinic acid,4TBDMS,isomer #6	CC(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)C	2474.2	Standard non polar	33892256
Guanidinosuccinic acid,4TBDMS,isomer #6	CC(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)C	3012.2	Standard polar	33892256
Guanidinosuccinic acid,4TBDMS,isomer #7	CC(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	2823.7	Semi standard non polar	33892256
Guanidinosuccinic acid,4TBDMS,isomer #7	CC(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	2423.7	Standard non polar	33892256
Guanidinosuccinic acid,4TBDMS,isomer #7	CC(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	2987.5	Standard polar	33892256
Guanidinosuccinic acid,4TBDMS,isomer #8	CC(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)C	2929.9	Semi standard non polar	33892256
Guanidinosuccinic acid,4TBDMS,isomer #8	CC(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)C	2753.9	Standard non polar	33892256
Guanidinosuccinic acid,4TBDMS,isomer #8	CC(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)C	2989.4	Standard polar	33892256
Guanidinosuccinic acid,4TBDMS,isomer #9	CC(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)C	2889.2	Semi standard non polar	33892256
Guanidinosuccinic acid,4TBDMS,isomer #9	CC(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)C	2471.1	Standard non polar	33892256
Guanidinosuccinic acid,4TBDMS,isomer #9	CC(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)C	2966.7	Standard polar	33892256
Guanidinosuccinic acid,5TBDMS,isomer #1	CC(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)C	3137.8	Semi standard non polar	33892256
Guanidinosuccinic acid,5TBDMS,isomer #1	CC(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)C	2941.8	Standard non polar	33892256
Guanidinosuccinic acid,5TBDMS,isomer #1	CC(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)C	2907.7	Standard polar	33892256
Guanidinosuccinic acid,5TBDMS,isomer #2	CC(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)C	3095.2	Semi standard non polar	33892256
Guanidinosuccinic acid,5TBDMS,isomer #2	CC(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)C	2663.6	Standard non polar	33892256
Guanidinosuccinic acid,5TBDMS,isomer #2	CC(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)C	2916.8	Standard polar	33892256
Guanidinosuccinic acid,5TBDMS,isomer #3	CC(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)C	3011.1	Semi standard non polar	33892256
Guanidinosuccinic acid,5TBDMS,isomer #3	CC(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)C	2636.8	Standard non polar	33892256
Guanidinosuccinic acid,5TBDMS,isomer #3	CC(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)C	2917.0	Standard polar	33892256
Guanidinosuccinic acid,5TBDMS,isomer #4	CC(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)C	3115.9	Semi standard non polar	33892256
Guanidinosuccinic acid,5TBDMS,isomer #4	CC(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)C	2822.9	Standard non polar	33892256
Guanidinosuccinic acid,5TBDMS,isomer #4	CC(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)C	2813.1	Standard polar	33892256
Guanidinosuccinic acid,5TBDMS,isomer #5	CC(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)C	3126.7	Semi standard non polar	33892256
Guanidinosuccinic acid,5TBDMS,isomer #5	CC(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)C	2822.0	Standard non polar	33892256
Guanidinosuccinic acid,5TBDMS,isomer #5	CC(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)C	2779.1	Standard polar	33892256
Guanidinosuccinic acid,6TBDMS,isomer #1	CC(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)C	3315.1	Semi standard non polar	33892256
Guanidinosuccinic acid,6TBDMS,isomer #1	CC(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)C	3021.9	Standard non polar	33892256
Guanidinosuccinic acid,6TBDMS,isomer #1	CC(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)C	2799.1	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Guanidinosuccinic acid GC-MS (Non-derivatized) - 70eV, Positive	splash10-000x-9600000000-6898be602fa231388ab5	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Guanidinosuccinic acid GC-MS (2 TMS) - 70eV, Positive	splash10-00di-9282000000-37ec05543d3d8d30ad15	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Guanidinosuccinic acid GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - Guanidinosuccinic acid Quattro_QQQ 10V, Positive-QTOF (Annotated)	splash10-004i-1900000000-466615ceb5129f085333	2012-07-25	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Guanidinosuccinic acid Quattro_QQQ 25V, Positive-QTOF (Annotated)	splash10-00di-9000000000-e5868bbf32c1407fa030	2012-07-25	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Guanidinosuccinic acid Quattro_QQQ 40V, Positive-QTOF (Annotated)	splash10-006x-9000000000-f34cd801b9c1e714a6fc	2012-07-25	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Guanidinosuccinic acid 20V, Negative-QTOF	splash10-000i-9200000000-2cad41f1508b5f26c3a4	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Guanidinosuccinic acid 20V, Positive-QTOF	splash10-0079-9100000000-05168c0ae4e3fdabfb73	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Guanidinosuccinic acid 35V, Positive-QTOF	splash10-004i-3900000000-df5df4302173fb4e9d29	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Guanidinosuccinic acid 10V, Negative-QTOF	splash10-001r-5900000000-a31472885115c0129885	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Guanidinosuccinic acid 40V, Positive-QTOF	splash10-0006-9000000000-36781515ea42c79fcca5	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Guanidinosuccinic acid 10V, Positive-QTOF	splash10-005i-5900000000-37fe8d8d0c84140e147c	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Guanidinosuccinic acid 40V, Positive-QTOF	splash10-0006-9000000000-ba089dcdaa7d9545ac43	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Guanidinosuccinic acid 35V, Negative-QTOF	splash10-005i-2900000000-d58d2731ca71e2359e24	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Guanidinosuccinic acid 35V, Positive-QTOF	splash10-005i-3900000000-e366d1ed9f73879bd47f	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Guanidinosuccinic acid 40V, Positive-QTOF	splash10-0006-9000000000-49e8a9df2b750e494685	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Guanidinosuccinic acid 40V, Negative-QTOF	splash10-0a4r-9000000000-948b748bb9ac50e676a1	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Guanidinosuccinic acid 20V, Positive-QTOF	splash10-00dr-9100000000-ac4c3bddfe7b0a568fff	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Guanidinosuccinic acid 10V, Positive-QTOF	splash10-004i-2900000000-e7544c898162e6c51b54	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Guanidinosuccinic acid 10V, Positive-QTOF	splash10-004i-3900000000-f755abe1d2fcfc810e3f	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Guanidinosuccinic acid 20V, Positive-QTOF	splash10-0079-9200000000-78e26e891d49a63dc6b6	2021-09-20	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Guanidinosuccinic acid 10V, Positive-QTOF	splash10-0a4i-0900000000-766bed5b22ec642474b7	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Guanidinosuccinic acid 20V, Positive-QTOF	splash10-090r-6900000000-c59abb9d78dd85396ad9	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Guanidinosuccinic acid 40V, Positive-QTOF	splash10-03di-9000000000-809ece24ff681a989230	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Guanidinosuccinic acid 10V, Negative-QTOF	splash10-0089-1900000000-ab305bd5f1306019d2bb	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Guanidinosuccinic acid 20V, Negative-QTOF	splash10-0a5i-9500000000-e46a9bb7a8167700416d	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Guanidinosuccinic acid 40V, Negative-QTOF	splash10-0006-9000000000-cf381fa0309c6e1df17d	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Guanidinosuccinic acid 10V, Negative-QTOF	splash10-02a9-6900000000-3e4021155970f30bc06c	2021-09-23	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Experimental 1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, experimental)	2021-10-10	Wishart Lab	View Spectrum
Experimental 2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)	2012-12-05	Wishart Lab	View Spectrum

IR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)	2023-02-03	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)	2023-02-03	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)	2023-02-03	FELIX lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm (predicted from logP)

Biospecimen Locations

Blood
Cellular Cytoplasm
Cerebrospinal Fluid (CSF)
Feces
Urine

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected and Quantified	0.75 (0.37-1.13) uM	Adult (>18 years old)	Both	Normal	18818040	details
Blood	Detected and Quantified	0.259 +/- 0.096 uM	Adult (>18 years old)	Both	Normal	7752905	details
Blood	Detected and Quantified	0.4 +/- 0.2 uM	Adult (>18 years old)	Both	Normal	7296840	details
Blood	Detected and Quantified	0.17 +/- 0.057 uM	Adult (>18 years old)	Both	Normal	22626821	details
Blood	Detected and Quantified	0.4 +/- 0.2 uM	Adult (>18 years old)	Not Specified	Normal	Geigy Scientific ...	details
Blood	Detected and Quantified	0.171 +/- 0.0571 uM	Adult (>18 years old)	Both	Normal	12675874	details
Blood	Detected and Quantified	0.18 +/- 0.14 uM	Adult (>18 years old)	Both	Normal	3433275	details
Cellular Cytoplasm	Detected and Quantified	0.2 +/- 0.5 uM	Adult (>18 years old)	Both	Normal	Geigy Scientific ...	details
Cerebrospinal Fluid (CSF)	Detected and Quantified	0.09 (0.05-0.13) uM	Adult (>18 years old)	Both	Normal	3433275	details
Cerebrospinal Fluid (CSF)	Detected and Quantified	<8.6 uM	Adult (>18 years old)	Both	Normal	Geigy Scientific ...	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	29808030	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	27543620	details
Urine	Detected and Quantified	4.0 +/- 2.0 umol/mmol creatinine	Adult (>18 years old)	Both	Normal	Geigy Scientific ... West Cadwell, N.J... Basel, Switzerlan...	details
Urine	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	21389975	details
Urine	Detected and Quantified	1.48 (1.06-1.90) umol/mmol creatinine	Adult (>18 years old)	Both	Normal	18818040	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected and Quantified	0.11 +/- 0.106 uM	Adult (>18 years old)	Both	Cirrhosis	7752905	details
Blood	Detected and Quantified	20.1 +/- 1.6 uM	Adult (>18 years old)	Both	Chronic renal failure	7296840	details
Blood	Detected and Quantified	8.17 +/- 1.71 uM	Adult (>18 years old)	Both	uremia	22626821	details
Blood	Detected and Quantified	37.143 +/- 19.429 uM	Adult (>18 years old)	Both	Uremia	12675874	details
Urine	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Bladder cancer	28157703	details

Associated Disorders and Diseases

Disease References

Cirrhosis
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
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
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 ] 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 IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB023116

KNApSAcK ID

Not Available

Chemspider ID

388951

KEGG Compound ID

C03139

BioCyc ID

CPD-599

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

PubChem Compound

439918

PDB ID

Not Available

ChEBI ID

17072

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

MDB00013446

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Download (PDF)

General References

Cohen BD: Methyl group deficiency and guanidino production in uremia. Mol Cell Biochem. 2003 Feb;244(1-2):31-6. [PubMed:12701806 ]
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 ]
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 ]
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 ]

Showing metabocard for Guanidinosuccinic acid (HMDB0003157)

MOL for HMDB0003157 (Guanidinosuccinic acid)

3D MOL for HMDB0003157 (Guanidinosuccinic acid)

3D SDF for HMDB0003157 (Guanidinosuccinic acid)

3D-SDF for HMDB0003157 (Guanidinosuccinic acid)

PDB for HMDB0003157 (Guanidinosuccinic acid)

3D PDB for HMDB0003157 (Guanidinosuccinic acid)

SMILES for HMDB0003157 (Guanidinosuccinic acid)

INCHI for HMDB0003157 (Guanidinosuccinic acid)

Structure for HMDB0003157 (Guanidinosuccinic acid)

3D Structure for HMDB0003157 (Guanidinosuccinic acid)

Experimental Collision Cross Sections

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

IR Spectra