Hmdb loader
Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2012-09-11 17:30:17 UTC
Update Date2023-02-21 17:18:45 UTC
HMDB IDHMDB0029416
Secondary Accession Numbers
  • HMDB29416
Metabolite Identification
Common NameL-Targinine
DescriptionL-Targinine, also known as L-NMMA or targinina, belongs to the class of organic compounds known as arginine and derivatives. Arginine and derivatives are compounds containing arginine or a derivative thereof resulting from reaction of arginine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Based on a literature review a significant number of articles have been published on L-Targinine.
Structure
Data?1676999925
Synonyms
ValueSource
Acide (2S)-2-amino-5-(3-methylguanidino)pentanoiqueChEBI
L-MonomethylarginineChEBI
L-NMMAChEBI
N-Monomethyl-L-arginineChEBI
N(5)-(Methylamidino)-L-ornithineChEBI
N(5)-(Metilamidino)-L-ornitinaChEBI
N(g)-Monomethyl-L-arginineChEBI
Ngamma-monomethyl-L-arginineChEBI
Omega-N-methylarginineChEBI
Omega-N-monomethylarginineChEBI
TargininaChEBI
TarginineChEBI
TargininumChEBI
TilargininaChEBI
TilarginineChEBI
TilargininumChEBI
N(5)-(N-Methylcarbamimidoyl)-L-ornithineHMDB
N(5)-[Imino(methylamino)methyl]-L-ornithineHMDB
N(Omega)-methyl-L-arginineHMDB
N-Methyl-L-arginineHMDB
N-Omega-methyl-L-arginineHMDB
N-Omega-monomethyl-L-arginineHMDB
N5-(N-Methylcarbamimidoyl)-L-ornithineHMDB
NG-Monomethyl-L-argineHMDB
L NG Monomethyl arginineHMDB
NG Monomethyl L arginineHMDB
Omega N methylarginineHMDB
Arginine, L-NG-monomethylHMDB
N(g)-MethylarginineHMDB
N(g)-Monomethyl-D-arginineHMDB
N(g)-MonomethylarginineHMDB
N(Omega)-monomethyl-L-arginineHMDB
D-NMMAHMDB
L MonomethylarginineHMDB
L-NG-Monomethyl arginineHMDB
NG-Monomethyl-L-arginineHMDB
Chemical FormulaC7H16N4O2
Average Molecular Weight188.2275
Monoisotopic Molecular Weight188.127325776
IUPAC Name(2S)-2-amino-5-(3-methylcarbamimidamido)pentanoic acid
Traditional NameNG monomethyl L arginine
CAS Registry Number17035-90-4
SMILES
CNC(=N)NCCC[C@H](N)C(O)=O
InChI Identifier
InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1
InChI KeyNTNWOCRCBQPEKQ-YFKPBYRVSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as arginine and derivatives. Arginine and derivatives are compounds containing arginine or a derivative thereof resulting from reaction of arginine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentArginine and derivatives
Alternative Parents
Substituents
  • Arginine or derivatives
  • Alpha-amino acid
  • L-alpha-amino acid
  • Fatty acid
  • Guanidine
  • Amino acid
  • Carboximidamide
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Hydrocarbon derivative
  • Organopnictogen compound
  • Organic oxygen compound
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Primary aliphatic amine
  • Imine
  • Carbonyl group
  • Amine
  • Organic nitrogen compound
  • Organic oxide
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
Role
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility1.45 g/LALOGPS
logP-3.5ALOGPS
logP-2.9ChemAxon
logS-2.1ALOGPS
pKa (Strongest Acidic)2.48ChemAxon
pKa (Strongest Basic)12.64ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area111.23 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity58.7 m³·mol⁻¹ChemAxon
Polarizability20.01 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]+145.3931661259
DarkChem[M-H]-144.64231661259
DeepCCS[M+H]+143.49430932474
DeepCCS[M-H]-139.66730932474
DeepCCS[M-2H]-177.08930932474
DeepCCS[M+Na]+152.72530932474
AllCCS[M+H]+142.732859911
AllCCS[M+H-H2O]+139.132859911
AllCCS[M+NH4]+146.232859911
AllCCS[M+Na]+147.132859911
AllCCS[M-H]-141.632859911
AllCCS[M+Na-2H]-143.032859911
AllCCS[M+HCOO]-144.632859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
L-TarginineCNC(=N)NCCC[C@H](N)C(O)=O3098.2Standard polar33892256
L-TarginineCNC(=N)NCCC[C@H](N)C(O)=O1867.1Standard non polar33892256
L-TarginineCNC(=N)NCCC[C@H](N)C(O)=O2350.9Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
L-Targinine,1TMS,isomer #1CNC(=N)NCCC[C@H](N)C(=O)O[Si](C)(C)C2100.5Semi standard non polar33892256
L-Targinine,1TMS,isomer #2CNC(=N)NCCC[C@H](N[Si](C)(C)C)C(=O)O2197.9Semi standard non polar33892256
L-Targinine,1TMS,isomer #3CN(C(=N)NCCC[C@H](N)C(=O)O)[Si](C)(C)C2177.2Semi standard non polar33892256
L-Targinine,1TMS,isomer #4CNC(=N[Si](C)(C)C)NCCC[C@H](N)C(=O)O2114.6Semi standard non polar33892256
L-Targinine,1TMS,isomer #5CNC(=N)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C2165.9Semi standard non polar33892256
L-Targinine,2TMS,isomer #1CNC(=N)NCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C2198.5Semi standard non polar33892256
L-Targinine,2TMS,isomer #1CNC(=N)NCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C1878.7Standard non polar33892256
L-Targinine,2TMS,isomer #10CN(C(=N)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C2181.1Semi standard non polar33892256
L-Targinine,2TMS,isomer #10CN(C(=N)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C2045.6Standard non polar33892256
L-Targinine,2TMS,isomer #11CNC(=N[Si](C)(C)C)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C2118.8Semi standard non polar33892256
L-Targinine,2TMS,isomer #11CNC(=N[Si](C)(C)C)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C1849.1Standard non polar33892256
L-Targinine,2TMS,isomer #2CN(C(=N)NCCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C2150.7Semi standard non polar33892256
L-Targinine,2TMS,isomer #2CN(C(=N)NCCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C1946.9Standard non polar33892256
L-Targinine,2TMS,isomer #3CNC(=N[Si](C)(C)C)NCCC[C@H](N)C(=O)O[Si](C)(C)C2048.6Semi standard non polar33892256
L-Targinine,2TMS,isomer #3CNC(=N[Si](C)(C)C)NCCC[C@H](N)C(=O)O[Si](C)(C)C1839.3Standard non polar33892256
L-Targinine,2TMS,isomer #4CNC(=N)N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C2110.9Semi standard non polar33892256
L-Targinine,2TMS,isomer #4CNC(=N)N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C1967.0Standard non polar33892256
L-Targinine,2TMS,isomer #5CN(C(=N)NCCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C2228.3Semi standard non polar33892256
L-Targinine,2TMS,isomer #5CN(C(=N)NCCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C1930.1Standard non polar33892256
L-Targinine,2TMS,isomer #6CNC(=N[Si](C)(C)C)NCCC[C@H](N[Si](C)(C)C)C(=O)O2122.1Semi standard non polar33892256
L-Targinine,2TMS,isomer #6CNC(=N[Si](C)(C)C)NCCC[C@H](N[Si](C)(C)C)C(=O)O1822.8Standard non polar33892256
L-Targinine,2TMS,isomer #7CNC(=N)N(CCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C2205.5Semi standard non polar33892256
L-Targinine,2TMS,isomer #7CNC(=N)N(CCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C1957.0Standard non polar33892256
L-Targinine,2TMS,isomer #8CNC(=N)NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2337.7Semi standard non polar33892256
L-Targinine,2TMS,isomer #8CNC(=N)NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C1900.9Standard non polar33892256
L-Targinine,2TMS,isomer #9CN(C(=N[Si](C)(C)C)NCCC[C@H](N)C(=O)O)[Si](C)(C)C2127.7Semi standard non polar33892256
L-Targinine,2TMS,isomer #9CN(C(=N[Si](C)(C)C)NCCC[C@H](N)C(=O)O)[Si](C)(C)C1824.5Standard non polar33892256
L-Targinine,3TMS,isomer #1CN(C(=N)NCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2205.9Semi standard non polar33892256
L-Targinine,3TMS,isomer #1CN(C(=N)NCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2015.2Standard non polar33892256
L-Targinine,3TMS,isomer #10CN(C(=N)NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2357.1Semi standard non polar33892256
L-Targinine,3TMS,isomer #10CN(C(=N)NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2053.5Standard non polar33892256
L-Targinine,3TMS,isomer #11CNC(=N[Si](C)(C)C)N(CCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C2148.2Semi standard non polar33892256
L-Targinine,3TMS,isomer #11CNC(=N[Si](C)(C)C)N(CCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C1885.5Standard non polar33892256
L-Targinine,3TMS,isomer #12CNC(=N[Si](C)(C)C)NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2267.6Semi standard non polar33892256
L-Targinine,3TMS,isomer #12CNC(=N[Si](C)(C)C)NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C1944.7Standard non polar33892256
L-Targinine,3TMS,isomer #13CNC(=N)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2288.4Semi standard non polar33892256
L-Targinine,3TMS,isomer #13CNC(=N)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2074.9Standard non polar33892256
L-Targinine,3TMS,isomer #14CN(C(=N[Si](C)(C)C)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C2139.9Semi standard non polar33892256
L-Targinine,3TMS,isomer #14CN(C(=N[Si](C)(C)C)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C2009.7Standard non polar33892256
L-Targinine,3TMS,isomer #2CNC(=N[Si](C)(C)C)NCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C2113.1Semi standard non polar33892256
L-Targinine,3TMS,isomer #2CNC(=N[Si](C)(C)C)NCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C1861.9Standard non polar33892256
L-Targinine,3TMS,isomer #3CNC(=N)N(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2154.5Semi standard non polar33892256
L-Targinine,3TMS,isomer #3CNC(=N)N(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2021.9Standard non polar33892256
L-Targinine,3TMS,isomer #4CNC(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2348.6Semi standard non polar33892256
L-Targinine,3TMS,isomer #4CNC(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1980.9Standard non polar33892256
L-Targinine,3TMS,isomer #5CN(C(=N[Si](C)(C)C)NCCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C2103.6Semi standard non polar33892256
L-Targinine,3TMS,isomer #5CN(C(=N[Si](C)(C)C)NCCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C1854.0Standard non polar33892256
L-Targinine,3TMS,isomer #6CN(C(=N)N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2121.0Semi standard non polar33892256
L-Targinine,3TMS,isomer #6CN(C(=N)N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2091.8Standard non polar33892256
L-Targinine,3TMS,isomer #7CNC(=N[Si](C)(C)C)N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C2068.9Semi standard non polar33892256
L-Targinine,3TMS,isomer #7CNC(=N[Si](C)(C)C)N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C1881.5Standard non polar33892256
L-Targinine,3TMS,isomer #8CN(C(=N[Si](C)(C)C)NCCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C2170.4Semi standard non polar33892256
L-Targinine,3TMS,isomer #8CN(C(=N[Si](C)(C)C)NCCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C1865.8Standard non polar33892256
L-Targinine,3TMS,isomer #9CN(C(=N)N(CCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C2208.0Semi standard non polar33892256
L-Targinine,3TMS,isomer #9CN(C(=N)N(CCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C2090.6Standard non polar33892256
L-Targinine,4TMS,isomer #1CN(C(=N[Si](C)(C)C)NCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2142.6Semi standard non polar33892256
L-Targinine,4TMS,isomer #1CN(C(=N[Si](C)(C)C)NCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C1865.0Standard non polar33892256
L-Targinine,4TMS,isomer #10CN(C(=N)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2303.7Semi standard non polar33892256
L-Targinine,4TMS,isomer #10CN(C(=N)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2227.5Standard non polar33892256
L-Targinine,4TMS,isomer #11CNC(=N[Si](C)(C)C)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2259.7Semi standard non polar33892256
L-Targinine,4TMS,isomer #11CNC(=N[Si](C)(C)C)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C1991.1Standard non polar33892256
L-Targinine,4TMS,isomer #2CN(C(=N)N(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2180.8Semi standard non polar33892256
L-Targinine,4TMS,isomer #2CN(C(=N)N(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2139.8Standard non polar33892256
L-Targinine,4TMS,isomer #3CN(C(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2337.8Semi standard non polar33892256
L-Targinine,4TMS,isomer #3CN(C(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2122.6Standard non polar33892256
L-Targinine,4TMS,isomer #4CNC(=N[Si](C)(C)C)N(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2118.1Semi standard non polar33892256
L-Targinine,4TMS,isomer #4CNC(=N[Si](C)(C)C)N(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C1889.7Standard non polar33892256
L-Targinine,4TMS,isomer #5CNC(=N[Si](C)(C)C)NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2260.1Semi standard non polar33892256
L-Targinine,4TMS,isomer #5CNC(=N[Si](C)(C)C)NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1956.4Standard non polar33892256
L-Targinine,4TMS,isomer #6CNC(=N)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2286.6Semi standard non polar33892256
L-Targinine,4TMS,isomer #6CNC(=N)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2130.7Standard non polar33892256
L-Targinine,4TMS,isomer #7CN(C(=N[Si](C)(C)C)N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2140.3Semi standard non polar33892256
L-Targinine,4TMS,isomer #7CN(C(=N[Si](C)(C)C)N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2025.5Standard non polar33892256
L-Targinine,4TMS,isomer #8CN(C(=N[Si](C)(C)C)N(CCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C2207.9Semi standard non polar33892256
L-Targinine,4TMS,isomer #8CN(C(=N[Si](C)(C)C)N(CCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C2059.9Standard non polar33892256
L-Targinine,4TMS,isomer #9CN(C(=N[Si](C)(C)C)NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2298.7Semi standard non polar33892256
L-Targinine,4TMS,isomer #9CN(C(=N[Si](C)(C)C)NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C1964.1Standard non polar33892256
L-Targinine,5TMS,isomer #1CN(C(=N[Si](C)(C)C)N(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2207.5Semi standard non polar33892256
L-Targinine,5TMS,isomer #1CN(C(=N[Si](C)(C)C)N(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2066.2Standard non polar33892256
L-Targinine,5TMS,isomer #2CN(C(=N[Si](C)(C)C)NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2306.8Semi standard non polar33892256
L-Targinine,5TMS,isomer #2CN(C(=N[Si](C)(C)C)NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C1972.0Standard non polar33892256
L-Targinine,5TMS,isomer #3CN(C(=N)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2333.0Semi standard non polar33892256
L-Targinine,5TMS,isomer #3CN(C(=N)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2254.6Standard non polar33892256
L-Targinine,5TMS,isomer #4CNC(=N[Si](C)(C)C)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2289.8Semi standard non polar33892256
L-Targinine,5TMS,isomer #4CNC(=N[Si](C)(C)C)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2008.7Standard non polar33892256
L-Targinine,5TMS,isomer #5CN(C(=N[Si](C)(C)C)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2339.5Semi standard non polar33892256
L-Targinine,5TMS,isomer #5CN(C(=N[Si](C)(C)C)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2174.0Standard non polar33892256
L-Targinine,6TMS,isomer #1CN(C(=N[Si](C)(C)C)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2393.2Semi standard non polar33892256
L-Targinine,6TMS,isomer #1CN(C(=N[Si](C)(C)C)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2178.7Standard non polar33892256
L-Targinine,1TBDMS,isomer #1CNC(=N)NCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C2359.4Semi standard non polar33892256
L-Targinine,1TBDMS,isomer #2CNC(=N)NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O2440.7Semi standard non polar33892256
L-Targinine,1TBDMS,isomer #3CN(C(=N)NCCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C2408.6Semi standard non polar33892256
L-Targinine,1TBDMS,isomer #4CNC(=N[Si](C)(C)C(C)(C)C)NCCC[C@H](N)C(=O)O2381.2Semi standard non polar33892256
L-Targinine,1TBDMS,isomer #5CNC(=N)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C2402.5Semi standard non polar33892256
L-Targinine,2TBDMS,isomer #1CNC(=N)NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2664.5Semi standard non polar33892256
L-Targinine,2TBDMS,isomer #1CNC(=N)NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2267.7Standard non polar33892256
L-Targinine,2TBDMS,isomer #10CN(C(=N)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2621.2Semi standard non polar33892256
L-Targinine,2TBDMS,isomer #10CN(C(=N)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2446.0Standard non polar33892256
L-Targinine,2TBDMS,isomer #11CNC(=N[Si](C)(C)C(C)(C)C)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C2576.1Semi standard non polar33892256
L-Targinine,2TBDMS,isomer #11CNC(=N[Si](C)(C)C(C)(C)C)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C2229.2Standard non polar33892256
L-Targinine,2TBDMS,isomer #2CN(C(=N)NCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2609.9Semi standard non polar33892256
L-Targinine,2TBDMS,isomer #2CN(C(=N)NCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2367.6Standard non polar33892256
L-Targinine,2TBDMS,isomer #3CNC(=N[Si](C)(C)C(C)(C)C)NCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C2509.5Semi standard non polar33892256
L-Targinine,2TBDMS,isomer #3CNC(=N[Si](C)(C)C(C)(C)C)NCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C2215.2Standard non polar33892256
L-Targinine,2TBDMS,isomer #4CNC(=N)N(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2587.1Semi standard non polar33892256
L-Targinine,2TBDMS,isomer #4CNC(=N)N(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2379.7Standard non polar33892256
L-Targinine,2TBDMS,isomer #5CN(C(=N)NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2712.0Semi standard non polar33892256
L-Targinine,2TBDMS,isomer #5CN(C(=N)NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2368.5Standard non polar33892256
L-Targinine,2TBDMS,isomer #6CNC(=N[Si](C)(C)C(C)(C)C)NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O2626.9Semi standard non polar33892256
L-Targinine,2TBDMS,isomer #6CNC(=N[Si](C)(C)C(C)(C)C)NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O2198.6Standard non polar33892256
L-Targinine,2TBDMS,isomer #7CNC(=N)N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2678.5Semi standard non polar33892256
L-Targinine,2TBDMS,isomer #7CNC(=N)N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2369.3Standard non polar33892256
L-Targinine,2TBDMS,isomer #8CNC(=N)NCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2723.6Semi standard non polar33892256
L-Targinine,2TBDMS,isomer #8CNC(=N)NCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2289.3Standard non polar33892256
L-Targinine,2TBDMS,isomer #9CN(C(=N[Si](C)(C)C(C)(C)C)NCCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C2590.3Semi standard non polar33892256
L-Targinine,2TBDMS,isomer #9CN(C(=N[Si](C)(C)C(C)(C)C)NCCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C2246.8Standard non polar33892256
L-Targinine,3TBDMS,isomer #1CN(C(=N)NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2864.9Semi standard non polar33892256
L-Targinine,3TBDMS,isomer #1CN(C(=N)NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2585.9Standard non polar33892256
L-Targinine,3TBDMS,isomer #10CN(C(=N)NCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2972.0Semi standard non polar33892256
L-Targinine,3TBDMS,isomer #10CN(C(=N)NCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2623.2Standard non polar33892256
L-Targinine,3TBDMS,isomer #11CNC(=N[Si](C)(C)C(C)(C)C)N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2820.1Semi standard non polar33892256
L-Targinine,3TBDMS,isomer #11CNC(=N[Si](C)(C)C(C)(C)C)N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2383.0Standard non polar33892256
L-Targinine,3TBDMS,isomer #12CNC(=N[Si](C)(C)C(C)(C)C)NCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2906.7Semi standard non polar33892256
L-Targinine,3TBDMS,isomer #12CNC(=N[Si](C)(C)C(C)(C)C)NCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2483.9Standard non polar33892256
L-Targinine,3TBDMS,isomer #13CNC(=N)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2948.5Semi standard non polar33892256
L-Targinine,3TBDMS,isomer #13CNC(=N)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2627.4Standard non polar33892256
L-Targinine,3TBDMS,isomer #14CN(C(=N[Si](C)(C)C(C)(C)C)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2803.7Semi standard non polar33892256
L-Targinine,3TBDMS,isomer #14CN(C(=N[Si](C)(C)C(C)(C)C)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2576.7Standard non polar33892256
L-Targinine,3TBDMS,isomer #2CNC(=N[Si](C)(C)C(C)(C)C)NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2770.2Semi standard non polar33892256
L-Targinine,3TBDMS,isomer #2CNC(=N[Si](C)(C)C(C)(C)C)NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2370.4Standard non polar33892256
L-Targinine,3TBDMS,isomer #3CNC(=N)N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2840.4Semi standard non polar33892256
L-Targinine,3TBDMS,isomer #3CNC(=N)N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2591.0Standard non polar33892256
L-Targinine,3TBDMS,isomer #4CNC(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2928.0Semi standard non polar33892256
L-Targinine,3TBDMS,isomer #4CNC(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2544.8Standard non polar33892256
L-Targinine,3TBDMS,isomer #5CN(C(=N[Si](C)(C)C(C)(C)C)NCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2736.5Semi standard non polar33892256
L-Targinine,3TBDMS,isomer #5CN(C(=N[Si](C)(C)C(C)(C)C)NCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2407.7Standard non polar33892256
L-Targinine,3TBDMS,isomer #6CN(C(=N)N(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2805.6Semi standard non polar33892256
L-Targinine,3TBDMS,isomer #6CN(C(=N)N(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2686.1Standard non polar33892256
L-Targinine,3TBDMS,isomer #7CNC(=N[Si](C)(C)C(C)(C)C)N(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2727.2Semi standard non polar33892256
L-Targinine,3TBDMS,isomer #7CNC(=N[Si](C)(C)C(C)(C)C)N(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2405.0Standard non polar33892256
L-Targinine,3TBDMS,isomer #8CN(C(=N[Si](C)(C)C(C)(C)C)NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2842.6Semi standard non polar33892256
L-Targinine,3TBDMS,isomer #8CN(C(=N[Si](C)(C)C(C)(C)C)NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2405.4Standard non polar33892256
L-Targinine,3TBDMS,isomer #9CN(C(=N)N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2899.0Semi standard non polar33892256
L-Targinine,3TBDMS,isomer #9CN(C(=N)N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2693.5Standard non polar33892256
L-Targinine,4TBDMS,isomer #1CN(C(=N[Si](C)(C)C(C)(C)C)NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2964.5Semi standard non polar33892256
L-Targinine,4TBDMS,isomer #1CN(C(=N[Si](C)(C)C(C)(C)C)NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2555.5Standard non polar33892256
L-Targinine,4TBDMS,isomer #10CN(C(=N)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3174.0Semi standard non polar33892256
L-Targinine,4TBDMS,isomer #10CN(C(=N)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2916.9Standard non polar33892256
L-Targinine,4TBDMS,isomer #11CNC(=N[Si](C)(C)C(C)(C)C)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3117.4Semi standard non polar33892256
L-Targinine,4TBDMS,isomer #11CNC(=N[Si](C)(C)C(C)(C)C)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2650.4Standard non polar33892256
L-Targinine,4TBDMS,isomer #2CN(C(=N)N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3053.8Semi standard non polar33892256
L-Targinine,4TBDMS,isomer #2CN(C(=N)N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2870.6Standard non polar33892256
L-Targinine,4TBDMS,isomer #3CN(C(=N)NCCC[C@@H](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)[Si](C)(C)C(C)(C)C3162.3Semi standard non polar33892256
L-Targinine,4TBDMS,isomer #3CN(C(=N)NCCC[C@@H](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)[Si](C)(C)C(C)(C)C2815.2Standard non polar33892256
L-Targinine,4TBDMS,isomer #4CNC(=N[Si](C)(C)C(C)(C)C)N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2955.4Semi standard non polar33892256
L-Targinine,4TBDMS,isomer #4CNC(=N[Si](C)(C)C(C)(C)C)N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2545.2Standard non polar33892256
L-Targinine,4TBDMS,isomer #5CNC(=N[Si](C)(C)C(C)(C)C)NCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3080.9Semi standard non polar33892256
L-Targinine,4TBDMS,isomer #5CNC(=N[Si](C)(C)C(C)(C)C)NCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2636.8Standard non polar33892256
L-Targinine,4TBDMS,isomer #6CNC(=N)N(CCC[C@@H](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)[Si](C)(C)C(C)(C)C3140.2Semi standard non polar33892256
L-Targinine,4TBDMS,isomer #6CNC(=N)N(CCC[C@@H](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)[Si](C)(C)C(C)(C)C2823.8Standard non polar33892256
L-Targinine,4TBDMS,isomer #7CN(C(=N[Si](C)(C)C(C)(C)C)N(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2976.0Semi standard non polar33892256
L-Targinine,4TBDMS,isomer #7CN(C(=N[Si](C)(C)C(C)(C)C)N(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2737.4Standard non polar33892256
L-Targinine,4TBDMS,isomer #8CN(C(=N[Si](C)(C)C(C)(C)C)N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3052.6Semi standard non polar33892256
L-Targinine,4TBDMS,isomer #8CN(C(=N[Si](C)(C)C(C)(C)C)N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2752.1Standard non polar33892256
L-Targinine,4TBDMS,isomer #9CN(C(=N[Si](C)(C)C(C)(C)C)NCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3141.2Semi standard non polar33892256
L-Targinine,4TBDMS,isomer #9CN(C(=N[Si](C)(C)C(C)(C)C)NCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2661.7Standard non polar33892256
L-Targinine,5TBDMS,isomer #1CN(C(=N[Si](C)(C)C(C)(C)C)N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3203.5Semi standard non polar33892256
L-Targinine,5TBDMS,isomer #1CN(C(=N[Si](C)(C)C(C)(C)C)N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2908.0Standard non polar33892256
L-Targinine,5TBDMS,isomer #2CN(C(=N[Si](C)(C)C(C)(C)C)NCCC[C@@H](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)[Si](C)(C)C(C)(C)C3320.6Semi standard non polar33892256
L-Targinine,5TBDMS,isomer #2CN(C(=N[Si](C)(C)C(C)(C)C)NCCC[C@@H](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)[Si](C)(C)C(C)(C)C2841.0Standard non polar33892256
L-Targinine,5TBDMS,isomer #3CN(C(=N)N(CCC[C@@H](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)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3359.0Semi standard non polar33892256
L-Targinine,5TBDMS,isomer #3CN(C(=N)N(CCC[C@@H](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)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3112.9Standard non polar33892256
L-Targinine,5TBDMS,isomer #4CNC(=N[Si](C)(C)C(C)(C)C)N(CCC[C@@H](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)[Si](C)(C)C(C)(C)C3319.9Semi standard non polar33892256
L-Targinine,5TBDMS,isomer #4CNC(=N[Si](C)(C)C(C)(C)C)N(CCC[C@@H](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)[Si](C)(C)C(C)(C)C2842.5Standard non polar33892256
L-Targinine,5TBDMS,isomer #5CN(C(=N[Si](C)(C)C(C)(C)C)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3363.6Semi standard non polar33892256
L-Targinine,5TBDMS,isomer #5CN(C(=N[Si](C)(C)C(C)(C)C)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2998.1Standard non polar33892256
L-Targinine,6TBDMS,isomer #1CN(C(=N[Si](C)(C)C(C)(C)C)N(CCC[C@@H](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)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3560.4Semi standard non polar33892256
L-Targinine,6TBDMS,isomer #1CN(C(=N[Si](C)(C)C(C)(C)C)N(CCC[C@@H](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)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3180.0Standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - L-Targinine GC-MS (Non-derivatized) - 70eV, Positivesplash10-00du-9300000000-8a5d10c2c8d6cd8eae8e2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - L-Targinine GC-MS (1 TMS) - 70eV, Positivesplash10-00dr-9210000000-c205856837ac754138842017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - L-Targinine 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 - L-Targinine 35V, Positive-QTOFsplash10-00di-9400000000-3cdd79f488639c85a7382021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Targinine 10V, Positive-QTOFsplash10-0076-1900000000-b304f22c29cac910afdf2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Targinine 20V, Positive-QTOFsplash10-00dl-9800000000-e1e925df5f5a69746f042016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Targinine 40V, Positive-QTOFsplash10-00di-9000000000-23540f46e00006c9651c2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Targinine 10V, Negative-QTOFsplash10-000i-2900000000-87d59411066c5f0db9e02016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Targinine 20V, Negative-QTOFsplash10-00di-9700000000-a2bcbbf60caf5fc666432016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Targinine 40V, Negative-QTOFsplash10-006x-9000000000-0cc6ad3e3fb7ee0fb63d2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Targinine 10V, Positive-QTOFsplash10-000i-3900000000-4a2c96ac18bbeebdfa442021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Targinine 20V, Positive-QTOFsplash10-00di-9000000000-0e534ead44193d591ee22021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Targinine 40V, Positive-QTOFsplash10-00di-9000000000-ff195acbbdd550fee9d12021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Targinine 10V, Negative-QTOFsplash10-001i-0900000000-a7a55bed1d490bf8ce9c2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Targinine 20V, Negative-QTOFsplash10-001i-1900000000-608a283cd867c13b9c942021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Targinine 40V, Negative-QTOFsplash10-0a4i-9000000000-023ee0e0eb4f261fe5942021-09-22Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum

IR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)2023-02-03FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)2023-02-03FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)2023-02-03FELIX labView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen Locations
  • Blood
  • Feces
  • Urine
Tissue Locations
  • Placenta
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedCancer patients undergoing total body irradiation details
UrineDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedCancer patients undergoing total body irradiation details
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB11815
Phenol Explorer Compound IDNot Available
FooDB IDFDB000510
KNApSAcK IDNot Available
Chemspider ID117259
KEGG Compound IDC03884
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkMethylarginine
METLIN IDNot Available
PubChem Compound132862
PDB IDNMM
ChEBI ID28229
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]
  2. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .