Hmdb loader
Record Information
Version5.0
StatusDetected and Quantified
Creation Date2006-08-13 22:26:44 UTC
Update Date2023-05-30 20:55:54 UTC
HMDB IDHMDB0004620
Secondary Accession Numbers
  • HMDB04620
Metabolite Identification
Common NameN-a-Acetyl-L-arginine
DescriptionN-alpha-Acetyl-L-arginine, also known as N-alpha-acetylarginine, belongs to the class of organic compounds known as N-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. N-Acetylarginine can also be classified as an alpha amino acid or a derivatized alpha amino acid. Technically, N-Acetylarginine is a biologically available N-terminal capped form of the proteinogenic alpha amino acid L-arginine. N-acetyl amino acids can be produced either via direct synthesis of specific N-acetyltransferases or via the proteolytic degradation of N-acetylated proteins by specific hydrolases. N-terminal acetylation of proteins is a widespread and highly conserved process in eukaryotes that is involved in protection and stability of proteins (PMID: 16465618 ). About 85% of all human proteins and 68% of all yeast proteins are acetylated at their N-terminus (PMID: 21750686 ). Several proteins from prokaryotes and archaea are also modified by N-terminal acetylation. The majority of eukaryotic N-terminal-acetylation reactions occur through N-acetyltransferase enzymes or NAT’s (PMID: 30054468 ). These enzymes consist of three main oligomeric complexes NatA, NatB, and NatC, which are composed of at least a unique catalytic subunit and one unique ribosomal anchor. The substrate specificities of different NAT enzymes are mainly determined by the identities of the first two N-terminal residues of the target protein. The human NatA complex co-translationally acetylates N-termini that bear a small amino acid (A, S, T, C, and occasionally V and G) (PMID: 30054468 ). NatA also exists in a monomeric state and can post-translationally acetylate acidic N-termini residues (D-, E-). NatB and NatC acetylate N-terminal methionine with further specificity determined by the identity of the second amino acid. N-acetylated amino acids, such as N-acetylarginine can be released by an N-acylpeptide hydrolase from peptides generated by proteolytic degradation (PMID: 16465618 ). In addition to the NAT enzymes and protein-based acetylation, N-acetylation of free arginine can also occur. Many N-acetylamino acids, including N-acetylarginine are classified as uremic toxins if present in high abundance in the serum or plasma (PMID: 26317986 ; PMID: 20613759 ; PMID: 7777105 ). Uremic toxins are a diverse group of endogenously produced molecules that, if not properly cleared or eliminated by the kidneys, can cause kidney damage, cardiovascular disease and neurological deficits (PMID: 18287557 ). N-alpha-Acetyl-L-arginine serum levels (and other guanidino compounds) were elevated of all the hyperargininemic patients are higher than the normal range. Untreated hyperargininemic patients have the highest guanidino compound levels in cerebrospinal fluid. N-alpha-Acetyl-L-arginine is also increased in the urine or hyperargininemic patients. N-alpha-Acetyl-L-arginine is one of the guanidino compounds found elevated in the serum of hemodialyzed renal insufficient (uremic) pediatric patients.
Structure
Data?1582752309
Synonyms
ValueSource
N-Ac-L-arg-OHChEBI
N-Acetyl-L-arginineChEBI
N(2)-Acetyl-L-arginineChEBI
N-alpha-Acetyl-L-arginineHMDB
N-alpha-L-Acetyl-arginineHMDB
N2-Acetyl-L-arginineHMDB
Acetyl arginineMeSH, HMDB
N-alpha-AcetylarginineMeSH, HMDB
N(a)-Acetyl-L-arginineGenerator, HMDB
N(Α)-acetyl-L-arginineGenerator, HMDB
N-a-L-Acetyl-arginineGenerator, HMDB
N-Α-L-acetyl-arginineGenerator, HMDB
Chemical FormulaC8H16N4O3
Average Molecular Weight216.2376
Monoisotopic Molecular Weight216.122240398
IUPAC Name(2S)-5-carbamimidamido-2-acetamidopentanoic acid
Traditional NameN~2~-acetyl-L-arginine
CAS Registry Number155-84-0
SMILES
CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O
InChI Identifier
InChI=1S/C8H16N4O3/c1-5(13)12-6(7(14)15)3-2-4-11-8(9)10/h6H,2-4H2,1H3,(H,12,13)(H,14,15)(H4,9,10,11)/t6-/m0/s1
InChI KeySNEIUMQYRCDYCH-LURJTMIESA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as n-acyl-l-alpha-amino acids. These are n-acylated alpha amino acids which have the L-configuration of the alpha-carbon atom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentN-acyl-L-alpha-amino acids
Alternative Parents
Substituents
  • N-acyl-l-alpha-amino acid
  • Fatty acid
  • Acetamide
  • Carboxamide group
  • Guanidine
  • Secondary carboxylic acid amide
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Carboximidamide
  • Propargyl-type 1,3-dipolar organic compound
  • Organic 1,3-dipolar compound
  • Organopnictogen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Carbonyl group
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • 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 Solubility42570 mg/L @ 25 °C (est)The Good Scents Company Information System
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.77 g/LALOGPS
logP-1.7ALOGPS
logP-3.3ChemAxon
logS-2.4ALOGPS
pKa (Strongest Acidic)3.68ChemAxon
pKa (Strongest Basic)12.24ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area128.3 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity63.37 m³·mol⁻¹ChemAxon
Polarizability22.04 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]+150.4131661259
DarkChem[M-H]-147.36731661259
DeepCCS[M+H]+143.56930932474
DeepCCS[M-H]-141.21130932474
DeepCCS[M-2H]-176.17130932474
DeepCCS[M+Na]+150.96730932474
AllCCS[M+H]+148.632859911
AllCCS[M+H-H2O]+145.132859911
AllCCS[M+NH4]+151.832859911
AllCCS[M+Na]+152.732859911
AllCCS[M-H]-147.732859911
AllCCS[M+Na-2H]-148.632859911
AllCCS[M+HCOO]-149.732859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
N-a-Acetyl-L-arginineCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O3298.6Standard polar33892256
N-a-Acetyl-L-arginineCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O2063.2Standard non polar33892256
N-a-Acetyl-L-arginineCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O2485.4Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
N-a-Acetyl-L-arginine,1TMS,isomer #1CC(=O)N[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C2262.9Semi standard non polar33892256
N-a-Acetyl-L-arginine,1TMS,isomer #2CC(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O2404.3Semi standard non polar33892256
N-a-Acetyl-L-arginine,1TMS,isomer #3CC(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C2285.0Semi standard non polar33892256
N-a-Acetyl-L-arginine,1TMS,isomer #4CC(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O2356.7Semi standard non polar33892256
N-a-Acetyl-L-arginine,1TMS,isomer #5CC(=O)N[C@@H](CCCNC(N)=N[Si](C)(C)C)C(=O)O2266.0Semi standard non polar33892256
N-a-Acetyl-L-arginine,2TMS,isomer #1CC(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C2412.8Semi standard non polar33892256
N-a-Acetyl-L-arginine,2TMS,isomer #1CC(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C2074.5Standard non polar33892256
N-a-Acetyl-L-arginine,2TMS,isomer #1CC(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C4175.5Standard polar33892256
N-a-Acetyl-L-arginine,2TMS,isomer #10CC(=O)N([C@@H](CCCNC(N)=N[Si](C)(C)C)C(=O)O)[Si](C)(C)C2220.2Semi standard non polar33892256
N-a-Acetyl-L-arginine,2TMS,isomer #10CC(=O)N([C@@H](CCCNC(N)=N[Si](C)(C)C)C(=O)O)[Si](C)(C)C2029.0Standard non polar33892256
N-a-Acetyl-L-arginine,2TMS,isomer #10CC(=O)N([C@@H](CCCNC(N)=N[Si](C)(C)C)C(=O)O)[Si](C)(C)C4034.6Standard polar33892256
N-a-Acetyl-L-arginine,2TMS,isomer #11CC(=O)N[C@@H](CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)C(=O)O2301.5Semi standard non polar33892256
N-a-Acetyl-L-arginine,2TMS,isomer #11CC(=O)N[C@@H](CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)C(=O)O2068.3Standard non polar33892256
N-a-Acetyl-L-arginine,2TMS,isomer #11CC(=O)N[C@@H](CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)C(=O)O4055.9Standard polar33892256
N-a-Acetyl-L-arginine,2TMS,isomer #2CC(=O)N([C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)[Si](C)(C)C2233.2Semi standard non polar33892256
N-a-Acetyl-L-arginine,2TMS,isomer #2CC(=O)N([C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)[Si](C)(C)C1960.0Standard non polar33892256
N-a-Acetyl-L-arginine,2TMS,isomer #2CC(=O)N([C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)[Si](C)(C)C4224.9Standard polar33892256
N-a-Acetyl-L-arginine,2TMS,isomer #3CC(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C2297.1Semi standard non polar33892256
N-a-Acetyl-L-arginine,2TMS,isomer #3CC(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C2071.9Standard non polar33892256
N-a-Acetyl-L-arginine,2TMS,isomer #3CC(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C4059.1Standard polar33892256
N-a-Acetyl-L-arginine,2TMS,isomer #4CC(=O)N[C@@H](CCCNC(N)=N[Si](C)(C)C)C(=O)O[Si](C)(C)C2227.9Semi standard non polar33892256
N-a-Acetyl-L-arginine,2TMS,isomer #4CC(=O)N[C@@H](CCCNC(N)=N[Si](C)(C)C)C(=O)O[Si](C)(C)C1975.7Standard non polar33892256
N-a-Acetyl-L-arginine,2TMS,isomer #4CC(=O)N[C@@H](CCCNC(N)=N[Si](C)(C)C)C(=O)O[Si](C)(C)C4035.3Standard polar33892256
N-a-Acetyl-L-arginine,2TMS,isomer #5CC(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C2384.6Semi standard non polar33892256
N-a-Acetyl-L-arginine,2TMS,isomer #5CC(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C2055.3Standard non polar33892256
N-a-Acetyl-L-arginine,2TMS,isomer #5CC(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C4127.1Standard polar33892256
N-a-Acetyl-L-arginine,2TMS,isomer #6CC(=O)N[C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O2406.3Semi standard non polar33892256
N-a-Acetyl-L-arginine,2TMS,isomer #6CC(=O)N[C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O2165.5Standard non polar33892256
N-a-Acetyl-L-arginine,2TMS,isomer #6CC(=O)N[C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O4111.3Standard polar33892256
N-a-Acetyl-L-arginine,2TMS,isomer #7CC(=O)N[C@@H](CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O2325.8Semi standard non polar33892256
N-a-Acetyl-L-arginine,2TMS,isomer #7CC(=O)N[C@@H](CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O1996.8Standard non polar33892256
N-a-Acetyl-L-arginine,2TMS,isomer #7CC(=O)N[C@@H](CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O4121.7Standard polar33892256
N-a-Acetyl-L-arginine,2TMS,isomer #8CC(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2464.9Semi standard non polar33892256
N-a-Acetyl-L-arginine,2TMS,isomer #8CC(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2169.9Standard non polar33892256
N-a-Acetyl-L-arginine,2TMS,isomer #8CC(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O4039.6Standard polar33892256
N-a-Acetyl-L-arginine,2TMS,isomer #9CC(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)[Si](C)(C)C2269.5Semi standard non polar33892256
N-a-Acetyl-L-arginine,2TMS,isomer #9CC(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)[Si](C)(C)C2065.7Standard non polar33892256
N-a-Acetyl-L-arginine,2TMS,isomer #9CC(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)[Si](C)(C)C4065.8Standard polar33892256
N-a-Acetyl-L-arginine,3TMS,isomer #1CC(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2384.8Semi standard non polar33892256
N-a-Acetyl-L-arginine,3TMS,isomer #1CC(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2104.3Standard non polar33892256
N-a-Acetyl-L-arginine,3TMS,isomer #1CC(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C3643.6Standard polar33892256
N-a-Acetyl-L-arginine,3TMS,isomer #10CC(=O)N([C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C2405.2Semi standard non polar33892256
N-a-Acetyl-L-arginine,3TMS,isomer #10CC(=O)N([C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C2228.8Standard non polar33892256
N-a-Acetyl-L-arginine,3TMS,isomer #10CC(=O)N([C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C3476.7Standard polar33892256
N-a-Acetyl-L-arginine,3TMS,isomer #11CC(=O)N[C@@H](CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O2372.8Semi standard non polar33892256
N-a-Acetyl-L-arginine,3TMS,isomer #11CC(=O)N[C@@H](CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O2081.4Standard non polar33892256
N-a-Acetyl-L-arginine,3TMS,isomer #11CC(=O)N[C@@H](CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O3587.7Standard polar33892256
N-a-Acetyl-L-arginine,3TMS,isomer #12CC(=O)N[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O2445.0Semi standard non polar33892256
N-a-Acetyl-L-arginine,3TMS,isomer #12CC(=O)N[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O2307.2Standard non polar33892256
N-a-Acetyl-L-arginine,3TMS,isomer #12CC(=O)N[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O3575.1Standard polar33892256
N-a-Acetyl-L-arginine,3TMS,isomer #13CC(=O)N[C@@H](CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2399.0Semi standard non polar33892256
N-a-Acetyl-L-arginine,3TMS,isomer #13CC(=O)N[C@@H](CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2120.2Standard non polar33892256
N-a-Acetyl-L-arginine,3TMS,isomer #13CC(=O)N[C@@H](CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O3560.9Standard polar33892256
N-a-Acetyl-L-arginine,3TMS,isomer #14CC(=O)N([C@@H](CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C2237.5Semi standard non polar33892256
N-a-Acetyl-L-arginine,3TMS,isomer #14CC(=O)N([C@@H](CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C2073.9Standard non polar33892256
N-a-Acetyl-L-arginine,3TMS,isomer #14CC(=O)N([C@@H](CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C3778.4Standard polar33892256
N-a-Acetyl-L-arginine,3TMS,isomer #2CC(=O)N[C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2393.5Semi standard non polar33892256
N-a-Acetyl-L-arginine,3TMS,isomer #2CC(=O)N[C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2177.0Standard non polar33892256
N-a-Acetyl-L-arginine,3TMS,isomer #2CC(=O)N[C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C3569.5Standard polar33892256
N-a-Acetyl-L-arginine,3TMS,isomer #3CC(=O)N[C@@H](CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C2336.1Semi standard non polar33892256
N-a-Acetyl-L-arginine,3TMS,isomer #3CC(=O)N[C@@H](CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C1957.2Standard non polar33892256
N-a-Acetyl-L-arginine,3TMS,isomer #3CC(=O)N[C@@H](CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C3666.1Standard polar33892256
N-a-Acetyl-L-arginine,3TMS,isomer #4CC(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2451.1Semi standard non polar33892256
N-a-Acetyl-L-arginine,3TMS,isomer #4CC(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2225.5Standard non polar33892256
N-a-Acetyl-L-arginine,3TMS,isomer #4CC(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C3501.3Standard polar33892256
N-a-Acetyl-L-arginine,3TMS,isomer #5CC(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2250.3Semi standard non polar33892256
N-a-Acetyl-L-arginine,3TMS,isomer #5CC(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2093.1Standard non polar33892256
N-a-Acetyl-L-arginine,3TMS,isomer #5CC(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C3794.4Standard polar33892256
N-a-Acetyl-L-arginine,3TMS,isomer #6CC(=O)N([C@@H](CCCNC(N)=N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2201.4Semi standard non polar33892256
N-a-Acetyl-L-arginine,3TMS,isomer #6CC(=O)N([C@@H](CCCNC(N)=N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C1994.6Standard non polar33892256
N-a-Acetyl-L-arginine,3TMS,isomer #6CC(=O)N([C@@H](CCCNC(N)=N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C3826.8Standard polar33892256
N-a-Acetyl-L-arginine,3TMS,isomer #7CC(=O)N[C@@H](CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2275.6Semi standard non polar33892256
N-a-Acetyl-L-arginine,3TMS,isomer #7CC(=O)N[C@@H](CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2010.2Standard non polar33892256
N-a-Acetyl-L-arginine,3TMS,isomer #7CC(=O)N[C@@H](CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C3789.8Standard polar33892256
N-a-Acetyl-L-arginine,3TMS,isomer #8CC(=O)N([C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C2343.8Semi standard non polar33892256
N-a-Acetyl-L-arginine,3TMS,isomer #8CC(=O)N([C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C2199.6Standard non polar33892256
N-a-Acetyl-L-arginine,3TMS,isomer #8CC(=O)N([C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C3556.8Standard polar33892256
N-a-Acetyl-L-arginine,3TMS,isomer #9CC(=O)N([C@@H](CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C2313.1Semi standard non polar33892256
N-a-Acetyl-L-arginine,3TMS,isomer #9CC(=O)N([C@@H](CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C2006.9Standard non polar33892256
N-a-Acetyl-L-arginine,3TMS,isomer #9CC(=O)N([C@@H](CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C3633.9Standard polar33892256
N-a-Acetyl-L-arginine,4TMS,isomer #1CC(=O)N([C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2358.0Semi standard non polar33892256
N-a-Acetyl-L-arginine,4TMS,isomer #1CC(=O)N([C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2207.3Standard non polar33892256
N-a-Acetyl-L-arginine,4TMS,isomer #1CC(=O)N([C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C3213.6Standard polar33892256
N-a-Acetyl-L-arginine,4TMS,isomer #10CC(=O)N([C@@H](CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C2361.5Semi standard non polar33892256
N-a-Acetyl-L-arginine,4TMS,isomer #10CC(=O)N([C@@H](CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C2151.3Standard non polar33892256
N-a-Acetyl-L-arginine,4TMS,isomer #10CC(=O)N([C@@H](CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C3174.9Standard polar33892256
N-a-Acetyl-L-arginine,4TMS,isomer #11CC(=O)N[C@@H](CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O2423.6Semi standard non polar33892256
N-a-Acetyl-L-arginine,4TMS,isomer #11CC(=O)N[C@@H](CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O2268.7Standard non polar33892256
N-a-Acetyl-L-arginine,4TMS,isomer #11CC(=O)N[C@@H](CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O3063.0Standard polar33892256
N-a-Acetyl-L-arginine,4TMS,isomer #2CC(=O)N([C@@H](CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2324.3Semi standard non polar33892256
N-a-Acetyl-L-arginine,4TMS,isomer #2CC(=O)N([C@@H](CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C1980.2Standard non polar33892256
N-a-Acetyl-L-arginine,4TMS,isomer #2CC(=O)N([C@@H](CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C3311.5Standard polar33892256
N-a-Acetyl-L-arginine,4TMS,isomer #3CC(=O)N([C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2395.7Semi standard non polar33892256
N-a-Acetyl-L-arginine,4TMS,isomer #3CC(=O)N([C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2261.8Standard non polar33892256
N-a-Acetyl-L-arginine,4TMS,isomer #3CC(=O)N([C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C3159.6Standard polar33892256
N-a-Acetyl-L-arginine,4TMS,isomer #4CC(=O)N[C@@H](CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2366.8Semi standard non polar33892256
N-a-Acetyl-L-arginine,4TMS,isomer #4CC(=O)N[C@@H](CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2041.8Standard non polar33892256
N-a-Acetyl-L-arginine,4TMS,isomer #4CC(=O)N[C@@H](CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C3170.9Standard polar33892256
N-a-Acetyl-L-arginine,4TMS,isomer #5CC(=O)N[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2417.5Semi standard non polar33892256
N-a-Acetyl-L-arginine,4TMS,isomer #5CC(=O)N[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2343.0Standard non polar33892256
N-a-Acetyl-L-arginine,4TMS,isomer #5CC(=O)N[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C3163.0Standard polar33892256
N-a-Acetyl-L-arginine,4TMS,isomer #6CC(=O)N[C@@H](CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2376.3Semi standard non polar33892256
N-a-Acetyl-L-arginine,4TMS,isomer #6CC(=O)N[C@@H](CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2075.5Standard non polar33892256
N-a-Acetyl-L-arginine,4TMS,isomer #6CC(=O)N[C@@H](CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C3179.1Standard polar33892256
N-a-Acetyl-L-arginine,4TMS,isomer #7CC(=O)N([C@@H](CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2272.1Semi standard non polar33892256
N-a-Acetyl-L-arginine,4TMS,isomer #7CC(=O)N([C@@H](CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2047.0Standard non polar33892256
N-a-Acetyl-L-arginine,4TMS,isomer #7CC(=O)N([C@@H](CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C3635.0Standard polar33892256
N-a-Acetyl-L-arginine,4TMS,isomer #8CC(=O)N([C@@H](CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C2338.2Semi standard non polar33892256
N-a-Acetyl-L-arginine,4TMS,isomer #8CC(=O)N([C@@H](CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C2111.8Standard non polar33892256
N-a-Acetyl-L-arginine,4TMS,isomer #8CC(=O)N([C@@H](CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C3182.8Standard polar33892256
N-a-Acetyl-L-arginine,4TMS,isomer #9CC(=O)N([C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C2398.1Semi standard non polar33892256
N-a-Acetyl-L-arginine,4TMS,isomer #9CC(=O)N([C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C2375.9Standard non polar33892256
N-a-Acetyl-L-arginine,4TMS,isomer #9CC(=O)N([C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C3193.9Standard polar33892256
N-a-Acetyl-L-arginine,5TMS,isomer #1CC(=O)N([C@@H](CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2363.0Semi standard non polar33892256
N-a-Acetyl-L-arginine,5TMS,isomer #1CC(=O)N([C@@H](CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2104.8Standard non polar33892256
N-a-Acetyl-L-arginine,5TMS,isomer #1CC(=O)N([C@@H](CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2889.0Standard polar33892256
N-a-Acetyl-L-arginine,5TMS,isomer #2CC(=O)N([C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2421.2Semi standard non polar33892256
N-a-Acetyl-L-arginine,5TMS,isomer #2CC(=O)N([C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2376.0Standard non polar33892256
N-a-Acetyl-L-arginine,5TMS,isomer #2CC(=O)N([C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2876.7Standard polar33892256
N-a-Acetyl-L-arginine,5TMS,isomer #3CC(=O)N([C@@H](CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2380.2Semi standard non polar33892256
N-a-Acetyl-L-arginine,5TMS,isomer #3CC(=O)N([C@@H](CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2117.1Standard non polar33892256
N-a-Acetyl-L-arginine,5TMS,isomer #3CC(=O)N([C@@H](CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2897.0Standard polar33892256
N-a-Acetyl-L-arginine,5TMS,isomer #4CC(=O)N[C@@H](CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2406.4Semi standard non polar33892256
N-a-Acetyl-L-arginine,5TMS,isomer #4CC(=O)N[C@@H](CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2253.2Standard non polar33892256
N-a-Acetyl-L-arginine,5TMS,isomer #4CC(=O)N[C@@H](CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2699.0Standard polar33892256
N-a-Acetyl-L-arginine,5TMS,isomer #5CC(=O)N([C@@H](CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C2419.7Semi standard non polar33892256
N-a-Acetyl-L-arginine,5TMS,isomer #5CC(=O)N([C@@H](CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C2324.1Standard non polar33892256
N-a-Acetyl-L-arginine,5TMS,isomer #5CC(=O)N([C@@H](CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C2747.3Standard polar33892256
N-a-Acetyl-L-arginine,6TMS,isomer #1CC(=O)N([C@@H](CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2444.5Semi standard non polar33892256
N-a-Acetyl-L-arginine,6TMS,isomer #1CC(=O)N([C@@H](CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2313.7Standard non polar33892256
N-a-Acetyl-L-arginine,6TMS,isomer #1CC(=O)N([C@@H](CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2489.2Standard polar33892256
N-a-Acetyl-L-arginine,1TBDMS,isomer #1CC(=O)N[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C(C)(C)C2526.7Semi standard non polar33892256
N-a-Acetyl-L-arginine,1TBDMS,isomer #2CC(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)C(=O)O2674.5Semi standard non polar33892256
N-a-Acetyl-L-arginine,1TBDMS,isomer #3CC(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C(C)(C)C2486.1Semi standard non polar33892256
N-a-Acetyl-L-arginine,1TBDMS,isomer #4CC(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O2575.1Semi standard non polar33892256
N-a-Acetyl-L-arginine,1TBDMS,isomer #5CC(=O)N[C@@H](CCCNC(N)=N[Si](C)(C)C(C)(C)C)C(=O)O2537.4Semi standard non polar33892256
N-a-Acetyl-L-arginine,2TBDMS,isomer #1CC(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2901.0Semi standard non polar33892256
N-a-Acetyl-L-arginine,2TBDMS,isomer #1CC(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2442.5Standard non polar33892256
N-a-Acetyl-L-arginine,2TBDMS,isomer #1CC(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3816.2Standard polar33892256
N-a-Acetyl-L-arginine,2TBDMS,isomer #10CC(=O)N([C@@H](CCCNC(N)=N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2661.0Semi standard non polar33892256
N-a-Acetyl-L-arginine,2TBDMS,isomer #10CC(=O)N([C@@H](CCCNC(N)=N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2385.9Standard non polar33892256
N-a-Acetyl-L-arginine,2TBDMS,isomer #10CC(=O)N([C@@H](CCCNC(N)=N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3928.3Standard polar33892256
N-a-Acetyl-L-arginine,2TBDMS,isomer #11CC(=O)N[C@@H](CCCN(C(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2771.9Semi standard non polar33892256
N-a-Acetyl-L-arginine,2TBDMS,isomer #11CC(=O)N[C@@H](CCCN(C(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2408.4Standard non polar33892256
N-a-Acetyl-L-arginine,2TBDMS,isomer #11CC(=O)N[C@@H](CCCN(C(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3923.6Standard polar33892256
N-a-Acetyl-L-arginine,2TBDMS,isomer #2CC(=O)N([C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2649.5Semi standard non polar33892256
N-a-Acetyl-L-arginine,2TBDMS,isomer #2CC(=O)N([C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2378.8Standard non polar33892256
N-a-Acetyl-L-arginine,2TBDMS,isomer #2CC(=O)N([C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4060.7Standard polar33892256
N-a-Acetyl-L-arginine,2TBDMS,isomer #3CC(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2766.5Semi standard non polar33892256
N-a-Acetyl-L-arginine,2TBDMS,isomer #3CC(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2457.5Standard non polar33892256
N-a-Acetyl-L-arginine,2TBDMS,isomer #3CC(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3951.5Standard polar33892256
N-a-Acetyl-L-arginine,2TBDMS,isomer #4CC(=O)N[C@@H](CCCNC(N)=N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2710.9Semi standard non polar33892256
N-a-Acetyl-L-arginine,2TBDMS,isomer #4CC(=O)N[C@@H](CCCNC(N)=N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2348.6Standard non polar33892256
N-a-Acetyl-L-arginine,2TBDMS,isomer #4CC(=O)N[C@@H](CCCNC(N)=N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3950.2Standard polar33892256
N-a-Acetyl-L-arginine,2TBDMS,isomer #5CC(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2839.1Semi standard non polar33892256
N-a-Acetyl-L-arginine,2TBDMS,isomer #5CC(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2427.4Standard non polar33892256
N-a-Acetyl-L-arginine,2TBDMS,isomer #5CC(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3761.0Standard polar33892256
N-a-Acetyl-L-arginine,2TBDMS,isomer #6CC(=O)N[C@@H](CCCN(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2892.1Semi standard non polar33892256
N-a-Acetyl-L-arginine,2TBDMS,isomer #6CC(=O)N[C@@H](CCCN(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2529.1Standard non polar33892256
N-a-Acetyl-L-arginine,2TBDMS,isomer #6CC(=O)N[C@@H](CCCN(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3758.3Standard polar33892256
N-a-Acetyl-L-arginine,2TBDMS,isomer #7CC(=O)N[C@@H](CCCNC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O2832.4Semi standard non polar33892256
N-a-Acetyl-L-arginine,2TBDMS,isomer #7CC(=O)N[C@@H](CCCNC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O2317.3Standard non polar33892256
N-a-Acetyl-L-arginine,2TBDMS,isomer #7CC(=O)N[C@@H](CCCNC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O3724.7Standard polar33892256
N-a-Acetyl-L-arginine,2TBDMS,isomer #8CC(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2895.1Semi standard non polar33892256
N-a-Acetyl-L-arginine,2TBDMS,isomer #8CC(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2533.1Standard non polar33892256
N-a-Acetyl-L-arginine,2TBDMS,isomer #8CC(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3740.6Standard polar33892256
N-a-Acetyl-L-arginine,2TBDMS,isomer #9CC(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2728.4Semi standard non polar33892256
N-a-Acetyl-L-arginine,2TBDMS,isomer #9CC(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2457.5Standard non polar33892256
N-a-Acetyl-L-arginine,2TBDMS,isomer #9CC(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3928.1Standard polar33892256
N-a-Acetyl-L-arginine,3TBDMS,isomer #1CC(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3011.3Semi standard non polar33892256
N-a-Acetyl-L-arginine,3TBDMS,isomer #1CC(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2627.3Standard non polar33892256
N-a-Acetyl-L-arginine,3TBDMS,isomer #1CC(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3510.6Standard polar33892256
N-a-Acetyl-L-arginine,3TBDMS,isomer #10CC(=O)N([C@@H](CCCNC(=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)C3015.4Semi standard non polar33892256
N-a-Acetyl-L-arginine,3TBDMS,isomer #10CC(=O)N([C@@H](CCCNC(=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)C2732.3Standard non polar33892256
N-a-Acetyl-L-arginine,3TBDMS,isomer #10CC(=O)N([C@@H](CCCNC(=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)C3436.8Standard polar33892256
N-a-Acetyl-L-arginine,3TBDMS,isomer #11CC(=O)N[C@@H](CCCN(C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3031.5Semi standard non polar33892256
N-a-Acetyl-L-arginine,3TBDMS,isomer #11CC(=O)N[C@@H](CCCN(C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2528.2Standard non polar33892256
N-a-Acetyl-L-arginine,3TBDMS,isomer #11CC(=O)N[C@@H](CCCN(C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3434.0Standard polar33892256
N-a-Acetyl-L-arginine,3TBDMS,isomer #12CC(=O)N[C@@H](CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3090.7Semi standard non polar33892256
N-a-Acetyl-L-arginine,3TBDMS,isomer #12CC(=O)N[C@@H](CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2828.8Standard non polar33892256
N-a-Acetyl-L-arginine,3TBDMS,isomer #12CC(=O)N[C@@H](CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3484.7Standard polar33892256
N-a-Acetyl-L-arginine,3TBDMS,isomer #13CC(=O)N[C@@H](CCCNC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3054.0Semi standard non polar33892256
N-a-Acetyl-L-arginine,3TBDMS,isomer #13CC(=O)N[C@@H](CCCNC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2596.1Standard non polar33892256
N-a-Acetyl-L-arginine,3TBDMS,isomer #13CC(=O)N[C@@H](CCCNC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3418.5Standard polar33892256
N-a-Acetyl-L-arginine,3TBDMS,isomer #14CC(=O)N([C@@H](CCCN(C(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)C2935.3Semi standard non polar33892256
N-a-Acetyl-L-arginine,3TBDMS,isomer #14CC(=O)N([C@@H](CCCN(C(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)C2570.1Standard non polar33892256
N-a-Acetyl-L-arginine,3TBDMS,isomer #14CC(=O)N([C@@H](CCCN(C(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)C3798.1Standard polar33892256
N-a-Acetyl-L-arginine,3TBDMS,isomer #2CC(=O)N[C@@H](CCCN(C(=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)C3078.7Semi standard non polar33892256
N-a-Acetyl-L-arginine,3TBDMS,isomer #2CC(=O)N[C@@H](CCCN(C(=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)C2703.0Standard non polar33892256
N-a-Acetyl-L-arginine,3TBDMS,isomer #2CC(=O)N[C@@H](CCCN(C(=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)C3481.0Standard polar33892256
N-a-Acetyl-L-arginine,3TBDMS,isomer #3CC(=O)N[C@@H](CCCNC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3037.2Semi standard non polar33892256
N-a-Acetyl-L-arginine,3TBDMS,isomer #3CC(=O)N[C@@H](CCCNC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2441.6Standard non polar33892256
N-a-Acetyl-L-arginine,3TBDMS,isomer #3CC(=O)N[C@@H](CCCNC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3471.5Standard polar33892256
N-a-Acetyl-L-arginine,3TBDMS,isomer #4CC(=O)N[C@@H](CCCNC(=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)C3078.5Semi standard non polar33892256
N-a-Acetyl-L-arginine,3TBDMS,isomer #4CC(=O)N[C@@H](CCCNC(=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)C2739.4Standard non polar33892256
N-a-Acetyl-L-arginine,3TBDMS,isomer #4CC(=O)N[C@@H](CCCNC(=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)C3446.8Standard polar33892256
N-a-Acetyl-L-arginine,3TBDMS,isomer #5CC(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2912.2Semi standard non polar33892256
N-a-Acetyl-L-arginine,3TBDMS,isomer #5CC(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2657.3Standard non polar33892256
N-a-Acetyl-L-arginine,3TBDMS,isomer #5CC(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3784.4Standard polar33892256
N-a-Acetyl-L-arginine,3TBDMS,isomer #6CC(=O)N([C@@H](CCCNC(N)=N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2827.5Semi standard non polar33892256
N-a-Acetyl-L-arginine,3TBDMS,isomer #6CC(=O)N([C@@H](CCCNC(N)=N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2537.4Standard non polar33892256
N-a-Acetyl-L-arginine,3TBDMS,isomer #6CC(=O)N([C@@H](CCCNC(N)=N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3821.0Standard polar33892256
N-a-Acetyl-L-arginine,3TBDMS,isomer #7CC(=O)N[C@@H](CCCN(C(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)C2954.3Semi standard non polar33892256
N-a-Acetyl-L-arginine,3TBDMS,isomer #7CC(=O)N[C@@H](CCCN(C(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)C2519.2Standard non polar33892256
N-a-Acetyl-L-arginine,3TBDMS,isomer #7CC(=O)N[C@@H](CCCN(C(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)C3805.8Standard polar33892256
N-a-Acetyl-L-arginine,3TBDMS,isomer #8CC(=O)N([C@@H](CCCN(C(=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)C3028.8Semi standard non polar33892256
N-a-Acetyl-L-arginine,3TBDMS,isomer #8CC(=O)N([C@@H](CCCN(C(=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)C2703.0Standard non polar33892256
N-a-Acetyl-L-arginine,3TBDMS,isomer #8CC(=O)N([C@@H](CCCN(C(=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)C3483.1Standard polar33892256
N-a-Acetyl-L-arginine,3TBDMS,isomer #9CC(=O)N([C@@H](CCCNC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2967.9Semi standard non polar33892256
N-a-Acetyl-L-arginine,3TBDMS,isomer #9CC(=O)N([C@@H](CCCNC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2481.6Standard non polar33892256
N-a-Acetyl-L-arginine,3TBDMS,isomer #9CC(=O)N([C@@H](CCCNC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3469.8Standard polar33892256
N-a-Acetyl-L-arginine,4TBDMS,isomer #1CC(=O)N([C@@H](CCCN(C(=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)[Si](C)(C)C(C)(C)C3210.2Semi standard non polar33892256
N-a-Acetyl-L-arginine,4TBDMS,isomer #1CC(=O)N([C@@H](CCCN(C(=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)[Si](C)(C)C(C)(C)C2885.4Standard non polar33892256
N-a-Acetyl-L-arginine,4TBDMS,isomer #1CC(=O)N([C@@H](CCCN(C(=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)[Si](C)(C)C(C)(C)C3327.3Standard polar33892256
N-a-Acetyl-L-arginine,4TBDMS,isomer #10CC(=O)N([C@@H](CCCNC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3189.2Semi standard non polar33892256
N-a-Acetyl-L-arginine,4TBDMS,isomer #10CC(=O)N([C@@H](CCCNC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2782.2Standard non polar33892256
N-a-Acetyl-L-arginine,4TBDMS,isomer #10CC(=O)N([C@@H](CCCNC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3262.6Standard polar33892256
N-a-Acetyl-L-arginine,4TBDMS,isomer #11CC(=O)N[C@@H](CCCN(C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3276.3Semi standard non polar33892256
N-a-Acetyl-L-arginine,4TBDMS,isomer #11CC(=O)N[C@@H](CCCN(C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2900.2Standard non polar33892256
N-a-Acetyl-L-arginine,4TBDMS,isomer #11CC(=O)N[C@@H](CCCN(C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3181.7Standard polar33892256
N-a-Acetyl-L-arginine,4TBDMS,isomer #2CC(=O)N([C@@H](CCCNC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3135.9Semi standard non polar33892256
N-a-Acetyl-L-arginine,4TBDMS,isomer #2CC(=O)N([C@@H](CCCNC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2636.2Standard non polar33892256
N-a-Acetyl-L-arginine,4TBDMS,isomer #2CC(=O)N([C@@H](CCCNC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3320.9Standard polar33892256
N-a-Acetyl-L-arginine,4TBDMS,isomer #3CC(=O)N([C@@H](CCCNC(=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)[Si](C)(C)C(C)(C)C3184.3Semi standard non polar33892256
N-a-Acetyl-L-arginine,4TBDMS,isomer #3CC(=O)N([C@@H](CCCNC(=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)[Si](C)(C)C(C)(C)C2922.1Standard non polar33892256
N-a-Acetyl-L-arginine,4TBDMS,isomer #3CC(=O)N([C@@H](CCCNC(=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)[Si](C)(C)C(C)(C)C3291.9Standard polar33892256
N-a-Acetyl-L-arginine,4TBDMS,isomer #4CC(=O)N[C@@H](CCCN(C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3182.9Semi standard non polar33892256
N-a-Acetyl-L-arginine,4TBDMS,isomer #4CC(=O)N[C@@H](CCCN(C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2661.9Standard non polar33892256
N-a-Acetyl-L-arginine,4TBDMS,isomer #4CC(=O)N[C@@H](CCCN(C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3249.6Standard polar33892256
N-a-Acetyl-L-arginine,4TBDMS,isomer #5CC(=O)N[C@@H](CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3274.5Semi standard non polar33892256
N-a-Acetyl-L-arginine,4TBDMS,isomer #5CC(=O)N[C@@H](CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3002.5Standard non polar33892256
N-a-Acetyl-L-arginine,4TBDMS,isomer #5CC(=O)N[C@@H](CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3285.0Standard polar33892256
N-a-Acetyl-L-arginine,4TBDMS,isomer #6CC(=O)N[C@@H](CCCNC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3192.2Semi standard non polar33892256
N-a-Acetyl-L-arginine,4TBDMS,isomer #6CC(=O)N[C@@H](CCCNC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2723.7Standard non polar33892256
N-a-Acetyl-L-arginine,4TBDMS,isomer #6CC(=O)N[C@@H](CCCNC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3237.9Standard polar33892256
N-a-Acetyl-L-arginine,4TBDMS,isomer #7CC(=O)N([C@@H](CCCN(C(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)[Si](C)(C)C(C)(C)C3138.8Semi standard non polar33892256
N-a-Acetyl-L-arginine,4TBDMS,isomer #7CC(=O)N([C@@H](CCCN(C(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)[Si](C)(C)C(C)(C)C2722.4Standard non polar33892256
N-a-Acetyl-L-arginine,4TBDMS,isomer #7CC(=O)N([C@@H](CCCN(C(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)[Si](C)(C)C(C)(C)C3739.9Standard polar33892256
N-a-Acetyl-L-arginine,4TBDMS,isomer #8CC(=O)N([C@@H](CCCN(C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3183.0Semi standard non polar33892256
N-a-Acetyl-L-arginine,4TBDMS,isomer #8CC(=O)N([C@@H](CCCN(C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2729.0Standard non polar33892256
N-a-Acetyl-L-arginine,4TBDMS,isomer #8CC(=O)N([C@@H](CCCN(C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3280.8Standard polar33892256
N-a-Acetyl-L-arginine,4TBDMS,isomer #9CC(=O)N([C@@H](CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3231.9Semi standard non polar33892256
N-a-Acetyl-L-arginine,4TBDMS,isomer #9CC(=O)N([C@@H](CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3014.0Standard non polar33892256
N-a-Acetyl-L-arginine,4TBDMS,isomer #9CC(=O)N([C@@H](CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3319.7Standard polar33892256
N-a-Acetyl-L-arginine,5TBDMS,isomer #1CC(=O)N([C@@H](CCCN(C(=N[Si](C)(C)C(C)(C)C)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)[Si](C)(C)C(C)(C)C3359.1Semi standard non polar33892256
N-a-Acetyl-L-arginine,5TBDMS,isomer #1CC(=O)N([C@@H](CCCN(C(=N[Si](C)(C)C(C)(C)C)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)[Si](C)(C)C(C)(C)C2893.0Standard non polar33892256
N-a-Acetyl-L-arginine,5TBDMS,isomer #1CC(=O)N([C@@H](CCCN(C(=N[Si](C)(C)C(C)(C)C)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)[Si](C)(C)C(C)(C)C3167.2Standard polar33892256
N-a-Acetyl-L-arginine,5TBDMS,isomer #2CC(=O)N([C@@H](CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3421.6Semi standard non polar33892256
N-a-Acetyl-L-arginine,5TBDMS,isomer #2CC(=O)N([C@@H](CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3183.7Standard non polar33892256
N-a-Acetyl-L-arginine,5TBDMS,isomer #2CC(=O)N([C@@H](CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3161.4Standard polar33892256
N-a-Acetyl-L-arginine,5TBDMS,isomer #3CC(=O)N([C@@H](CCCNC(=N[Si](C)(C)C(C)(C)C)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)[Si](C)(C)C(C)(C)C3350.5Semi standard non polar33892256
N-a-Acetyl-L-arginine,5TBDMS,isomer #3CC(=O)N([C@@H](CCCNC(=N[Si](C)(C)C(C)(C)C)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)[Si](C)(C)C(C)(C)C2940.0Standard non polar33892256
N-a-Acetyl-L-arginine,5TBDMS,isomer #3CC(=O)N([C@@H](CCCNC(=N[Si](C)(C)C(C)(C)C)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)[Si](C)(C)C(C)(C)C3134.2Standard polar33892256
N-a-Acetyl-L-arginine,5TBDMS,isomer #4CC(=O)N[C@@H](CCCN(C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3451.6Semi standard non polar33892256
N-a-Acetyl-L-arginine,5TBDMS,isomer #4CC(=O)N[C@@H](CCCN(C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3041.7Standard non polar33892256
N-a-Acetyl-L-arginine,5TBDMS,isomer #4CC(=O)N[C@@H](CCCN(C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3037.1Standard polar33892256
N-a-Acetyl-L-arginine,5TBDMS,isomer #5CC(=O)N([C@@H](CCCN(C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3446.8Semi standard non polar33892256
N-a-Acetyl-L-arginine,5TBDMS,isomer #5CC(=O)N([C@@H](CCCN(C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3102.5Standard non polar33892256
N-a-Acetyl-L-arginine,5TBDMS,isomer #5CC(=O)N([C@@H](CCCN(C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3063.3Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - N-a-Acetyl-L-arginine GC-MS (Non-derivatized) - 70eV, Positivesplash10-006x-9300000000-1ceaef8ce37a7b0824d72017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-a-Acetyl-L-arginine GC-MS (1 TMS) - 70eV, Positivesplash10-006x-9520000000-c079d35b9012a55883d22017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-a-Acetyl-L-arginine 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 - N-a-Acetyl-L-arginine 30V, Negative-QTOFsplash10-053u-9800000000-21b92cfd48ed4a2653df2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N-a-Acetyl-L-arginine 40V, Negative-QTOFsplash10-052f-9200000000-58b164576b6245ba5e982021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N-a-Acetyl-L-arginine 20V, Negative-QTOFsplash10-001i-3900000000-58a41f9d8b6b341edbad2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N-a-Acetyl-L-arginine 10V, Negative-QTOFsplash10-01c0-2940000000-8c72ed0fc62303b7f4a22021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-a-Acetyl-L-arginine 10V, Positive-QTOFsplash10-01b9-1940000000-495d7eb88df38bf7a81f2016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-a-Acetyl-L-arginine 20V, Positive-QTOFsplash10-03mi-2900000000-a1ce241787b0621824722016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-a-Acetyl-L-arginine 40V, Positive-QTOFsplash10-03di-9400000000-d6685c90df9e6a8f2a032016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-a-Acetyl-L-arginine 10V, Negative-QTOFsplash10-00xr-2930000000-c8a853d3dffa744063ac2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-a-Acetyl-L-arginine 20V, Negative-QTOFsplash10-0adi-4900000000-99f3a540de4819b0d14e2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-a-Acetyl-L-arginine 40V, Negative-QTOFsplash10-052f-9100000000-e57d664a81b0164998d52016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-a-Acetyl-L-arginine 10V, Negative-QTOFsplash10-01ba-0950000000-2fea8c9022bec91ce56b2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-a-Acetyl-L-arginine 20V, Negative-QTOFsplash10-008a-2910000000-69304c511117e4cfb10c2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-a-Acetyl-L-arginine 40V, Negative-QTOFsplash10-0006-9000000000-368bed42fdebf41889272021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-a-Acetyl-L-arginine 10V, Positive-QTOFsplash10-014i-0490000000-399f9d9369bbdc8e156f2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-a-Acetyl-L-arginine 20V, Positive-QTOFsplash10-0900-1900000000-bd5e452ef23574028f092021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-a-Acetyl-L-arginine 40V, Positive-QTOFsplash10-03di-9400000000-38ff35c82244b5d8dc7d2021-09-22Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
  • Cerebrospinal Fluid (CSF)
  • Feces
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified1.25 +/- 0.28 uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified0.0838 +/- 0.115 uMAdult (>18 years old)Both
Normal
details
Cerebrospinal Fluid (CSF)Detected and Quantified0.15 (0.07-0.23) uMAdult (>18 years old)Not SpecifiedNormal details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
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 Quantified1.84 (1.07-2.66) umol/mmol creatinineNewborn (0-30 days old)Both
Normal
    • Analysis of 40 NI...
details
UrineDetected and Quantified1.38 (0.64-2.12) umol/mmol creatinineAdult (>18 years old)BothNormal details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified1.520 +/- 0.660 uMAdult (>18 years old)Both
Uremia
details
Cerebrospinal Fluid (CSF)Detected and Quantified0.5 (0.0-1.0) uMAdult (>18 years old)Not SpecifiedHyperargininemia details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Colorectal cancer
details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Colorectal cancer
details
Associated Disorders and Diseases
Disease References
Uremia
  1. 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 ]
Hyperargininemia
  1. Mizutani N, Hayakawa C, Ohya Y, Watanabe K, Watanabe Y, Mori A: Guanidino compounds in hyperargininemia. Tohoku J Exp Med. 1987 Nov;153(3):197-205. [PubMed:3433275 ]
Colorectal cancer
  1. Sinha R, Ahn J, Sampson JN, Shi J, Yu G, Xiong X, Hayes RB, Goedert JJ: Fecal Microbiota, Fecal Metabolome, and Colorectal Cancer Interrelations. PLoS One. 2016 Mar 25;11(3):e0152126. doi: 10.1371/journal.pone.0152126. eCollection 2016. [PubMed:27015276 ]
  2. Goedert JJ, Sampson JN, Moore SC, Xiao Q, Xiong X, Hayes RB, Ahn J, Shi J, Sinha R: Fecal metabolomics: assay performance and association with colorectal cancer. Carcinogenesis. 2014 Sep;35(9):2089-96. doi: 10.1093/carcin/bgu131. Epub 2014 Jul 18. [PubMed:25037050 ]
Associated OMIM IDs
DrugBank IDDB01985
Phenol Explorer Compound IDNot Available
FooDB IDFDB023383
KNApSAcK IDNot Available
Chemspider ID60752
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound67427
PDB IDNot Available
ChEBI ID40521
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDMDB00030009
Good Scents IDrw1905261
References
Synthesis ReferenceBergmann, Max; Koster, Hans. Rearrangements of peptide-like substances. XII. Arginine and its conversion into ornithino. Z. physiol. Chem. (1926), 159 179-89.
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Sass JO, Mohr V, Olbrich H, Engelke U, Horvath J, Fliegauf M, Loges NT, Schweitzer-Krantz S, Moebus R, Weiler P, Kispert A, Superti-Furga A, Wevers RA, Omran H: Mutations in ACY1, the gene encoding aminoacylase 1, cause a novel inborn error of metabolism. Am J Hum Genet. 2006 Mar;78(3):401-9. Epub 2006 Jan 18. [PubMed:16465618 ]
  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. Marescau B, Qureshi IA, De Deyn P, Letarte J, Ryba R, Lowenthal A: Guanidino compounds in plasma, urine and cerebrospinal fluid of hyperargininemic patients during therapy. Clin Chim Acta. 1985 Feb 28;146(1):21-7. [PubMed:3987036 ]
  4. Marescau B, De Deyn PP, Lowenthal A, Qureshi IA, Antonozzi I, Bachmann C, Cederbaum SD, Cerone R, Chamoles N, Colombo JP, et al.: Guanidino compound analysis as a complementary diagnostic parameter for hyperargininemia: follow-up of guanidino compound levels during therapy. Pediatr Res. 1990 Mar;27(3):297-303. [PubMed:1690873 ]
  5. De Deyn PP, Robitaille P, Vanasse M, Qureshi IA, Marescau B: Serum guanidino compound levels in uremic pediatric patients treated with hemodialysis or continuous cycle peritoneal dialysis. Correlations between nerve conduction velocities and altered guanidino compound concentrations. Nephron. 1995;69(4):411-7. [PubMed:7777105 ]
  6. Tanaka H, Sirich TL, Plummer NS, Weaver DS, Meyer TW: An Enlarged Profile of Uremic Solutes. PLoS One. 2015 Aug 28;10(8):e0135657. doi: 10.1371/journal.pone.0135657. eCollection 2015. [PubMed:26317986 ]
  7. Van Damme P, Hole K, Pimenta-Marques A, Helsens K, Vandekerckhove J, Martinho RG, Gevaert K, Arnesen T: NatF contributes to an evolutionary shift in protein N-terminal acetylation and is important for normal chromosome segregation. PLoS Genet. 2011 Jul;7(7):e1002169. doi: 10.1371/journal.pgen.1002169. Epub 2011 Jul 7. [PubMed:21750686 ]
  8. Ree R, Varland S, Arnesen T: Spotlight on protein N-terminal acetylation. Exp Mol Med. 2018 Jul 27;50(7):1-13. doi: 10.1038/s12276-018-0116-z. [PubMed:30054468 ]
  9. Toyohara T, Akiyama Y, Suzuki T, Takeuchi Y, Mishima E, Tanemoto M, Momose A, Toki N, Sato H, Nakayama M, Hozawa A, Tsuji I, Ito S, Soga T, Abe T: Metabolomic profiling of uremic solutes in CKD patients. Hypertens Res. 2010 Sep;33(9):944-52. doi: 10.1038/hr.2010.113. Epub 2010 Jul 8. [PubMed:20613759 ]
  10. Vanholder R, Baurmeister U, Brunet P, Cohen G, Glorieux G, Jankowski J: A bench to bedside view of uremic toxins. J Am Soc Nephrol. 2008 May;19(5):863-70. doi: 10.1681/ASN.2007121377. Epub 2008 Feb 20. [PubMed:18287557 ]