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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2021-09-14 15:47:57 UTC
HMDB IDHMDB0000988
Secondary Accession Numbers
  • HMDB00988
Metabolite Identification
Common NameS-Adenosylmethioninamine
DescriptionS-Adenosylmethioninamine, also known as decarboxy-adomet or dadomet, belongs to the class of organic compounds known as 5'-deoxy-5'-thionucleosides. These are 5'-deoxyribonucleosides in which the ribose is thio-substituted at the 5'position by a S-alkyl group. S-Adenosylmethioninamine exists in all living species, ranging from bacteria to plants to humans. In humans, S-adenosylmethioninamine is involved in the methionine metabolism pathway. S-Adenosylmethioninamine has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make S-adenosylmethioninamine a potential biomarker for the consumption of these foods. S-Adenosylmethioninamine is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review a small amount of articles have been published on S-Adenosylmethioninamine.
Structure
Data?1595435560
Synonyms
ValueSource
(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfoniumChEBI
(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cationChEBI
(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium saltChEBI
[1-(Adenin-9-yl)-1,5-dideoxy-beta-D-ribofuranos-5-yl](3-aminopropyl)(methyl)sulfoniumChEBI
S-Adenosyl-(5')-3-methylthiopropylamineChEBI
S-Adenosyl-3-methylthiopropylamineChEBI
S-Adenosyl 3-(methylthio)propylamineKegg
S-Adenosyl 3-(methylsulfanyl)propylamineKegg
Decarboxy-adometKegg
(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulphoniumGenerator
(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulphonium cationGenerator
(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulphonium saltGenerator
[1-(Adenin-9-yl)-1,5-dideoxy-b-D-ribofuranos-5-yl](3-aminopropyl)(methyl)sulfoniumGenerator
[1-(Adenin-9-yl)-1,5-dideoxy-b-D-ribofuranos-5-yl](3-aminopropyl)(methyl)sulphoniumGenerator
[1-(Adenin-9-yl)-1,5-dideoxy-beta-D-ribofuranos-5-yl](3-aminopropyl)(methyl)sulphoniumGenerator
[1-(Adenin-9-yl)-1,5-dideoxy-β-D-ribofuranos-5-yl](3-aminopropyl)(methyl)sulfoniumGenerator
[1-(Adenin-9-yl)-1,5-dideoxy-β-D-ribofuranos-5-yl](3-aminopropyl)(methyl)sulphoniumGenerator
S-Adenosyl 3-(methylsulphanyl)propylamineGenerator
S--AdenosylmethioninamineHMDB
(5-Deoxy-5-adenosyl)(3-aminopropyl) methylsulfonium saltHMDB
DAdoMetHMDB
Decarboxylated adometHMDB
Decarboxylated S-adenosylmethionineHMDB
Decarboxylated samHMDB
S-Adenosyl-L-methioninamineHMDB
S-5'-Deoxyadenosyl-(5')-3-methylthiopropylamineHMDB
S-Adenosyl(5')-3-methylthiopropylamineHMDB
(-)-S-Adenosyl-(5')-3-methylthiopropylamineHMDB
(-)-S-Adenosyl-(5’)-3-methylthiopropylamineHMDB
5'-[(3-Aminopropyl)methylsulfonio]-5'-deoxyadenosineHMDB
5’-[(3-aminopropyl)methylsulfonio]-5’-deoxyadenosineHMDB
S-Adenosyl-(5’)-3-methylthiopropylamineHMDB
S-Adenosyl-L-methionamineHMDB
S-AdenosylmethionamineHMDB
S-Methyl-S-adenosyl homocysteamineHMDB
S-Methyl-S-adenosylhomocysteamineHMDB
S-MethyladenosylhomocysteamineHMDB
S-AdenosylmethioninamineHMDB
Chemical FormulaC14H23N6O3S
Average Molecular Weight355.436
Monoisotopic Molecular Weight355.155234322
IUPAC Name{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}(3-aminopropyl)methylsulfanium
Traditional Namedecarboxylated sam
CAS Registry Number22365-13-5
SMILES
C[S+](CCCN)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N
InChI Identifier
InChI=1S/C14H23N6O3S/c1-24(4-2-3-15)5-8-10(21)11(22)14(23-8)20-7-19-9-12(16)17-6-18-13(9)20/h6-8,10-11,14,21-22H,2-5,15H2,1H3,(H2,16,17,18)/q+1/t8-,10-,11-,14-,24?/m1/s1
InChI KeyZUNBITIXDCPNSD-LSRJEVITSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 5'-deoxy-5'-thionucleosides. These are 5'-deoxyribonucleosides in which the ribose is thio-substituted at the 5'position by a S-alkyl group.
KingdomOrganic compounds
Super ClassNucleosides, nucleotides, and analogues
Class5'-deoxyribonucleosides
Sub Class5'-deoxy-5'-thionucleosides
Direct Parent5'-deoxy-5'-thionucleosides
Alternative Parents
Substituents
  • 5'-deoxy-5'-thionucleoside
  • Glycosyl compound
  • N-glycosyl compound
  • 6-aminopurine
  • Pentose monosaccharide
  • Purine
  • Imidazopyrimidine
  • Aminopyrimidine
  • Imidolactam
  • Pyrimidine
  • Monosaccharide
  • N-substituted imidazole
  • Heteroaromatic compound
  • Tetrahydrofuran
  • Azole
  • Imidazole
  • Secondary alcohol
  • 1,2-diol
  • Oxacycle
  • Azacycle
  • Organoheterocyclic compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Primary aliphatic amine
  • Organooxygen compound
  • Organosulfur compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Primary amine
  • Amine
  • Alcohol
  • Organic cation
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effect

Adverse health effect

Disposition

Biological location

Source

Route of exposure

Process

Naturally occurring process

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility1.27 g/LALOGPS
logP10(0.28) g/LALOGPS
logP10(-2.8) g/LChemAxon
logS10(-2.5) g/LALOGPS
pKa (Strongest Acidic)12.45ChemAxon
pKa (Strongest Basic)10.09ChemAxon
Physiological Charge2ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area145.33 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity90.4 m³·mol⁻¹ChemAxon
Polarizability36.97 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+31661259
DarkChem[M-H]-31661259
AllCCS[M+H]+180.95332859911
AllCCS[M-H]-176.99832859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
S-AdenosylmethioninamineC[S+](CCCN)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N3798.4Standard polar33892256
S-AdenosylmethioninamineC[S+](CCCN)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N2533.6Standard non polar33892256
S-AdenosylmethioninamineC[S+](CCCN)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N3102.7Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
S-Adenosylmethioninamine,1TMS,isomer #1C[S+](CCCN)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3204.9Semi standard non polar33892256
S-Adenosylmethioninamine,1TMS,isomer #2C[S+](CCCN)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3208.5Semi standard non polar33892256
S-Adenosylmethioninamine,1TMS,isomer #3C[S+](CCCN[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O3262.2Semi standard non polar33892256
S-Adenosylmethioninamine,1TMS,isomer #4C[S+](CCCN)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3265.7Semi standard non polar33892256
S-Adenosylmethioninamine,2TMS,isomer #1C[S+](CCCN)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3152.0Semi standard non polar33892256
S-Adenosylmethioninamine,2TMS,isomer #2C[S+](CCCN[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3197.7Semi standard non polar33892256
S-Adenosylmethioninamine,2TMS,isomer #3C[S+](CCCN)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3210.2Semi standard non polar33892256
S-Adenosylmethioninamine,2TMS,isomer #4C[S+](CCCN[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3204.1Semi standard non polar33892256
S-Adenosylmethioninamine,2TMS,isomer #5C[S+](CCCN)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3207.0Semi standard non polar33892256
S-Adenosylmethioninamine,2TMS,isomer #6C[S+](CCCN[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3276.1Semi standard non polar33892256
S-Adenosylmethioninamine,2TMS,isomer #7C[S+](CCCN([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O3313.4Semi standard non polar33892256
S-Adenosylmethioninamine,2TMS,isomer #8C[S+](CCCN)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3190.9Semi standard non polar33892256
S-Adenosylmethioninamine,3TMS,isomer #1C[S+](CCCN[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3154.6Semi standard non polar33892256
S-Adenosylmethioninamine,3TMS,isomer #1C[S+](CCCN[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3218.2Standard non polar33892256
S-Adenosylmethioninamine,3TMS,isomer #1C[S+](CCCN[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4580.1Standard polar33892256
S-Adenosylmethioninamine,3TMS,isomer #10C[S+](CCCN[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3222.0Semi standard non polar33892256
S-Adenosylmethioninamine,3TMS,isomer #10C[S+](CCCN[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3367.7Standard non polar33892256
S-Adenosylmethioninamine,3TMS,isomer #10C[S+](CCCN[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O4346.0Standard polar33892256
S-Adenosylmethioninamine,3TMS,isomer #2C[S+](CCCN)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3182.3Semi standard non polar33892256
S-Adenosylmethioninamine,3TMS,isomer #2C[S+](CCCN)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3213.8Standard non polar33892256
S-Adenosylmethioninamine,3TMS,isomer #2C[S+](CCCN)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4619.4Standard polar33892256
S-Adenosylmethioninamine,3TMS,isomer #3C[S+](CCCN[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3239.9Semi standard non polar33892256
S-Adenosylmethioninamine,3TMS,isomer #3C[S+](CCCN[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3310.2Standard non polar33892256
S-Adenosylmethioninamine,3TMS,isomer #3C[S+](CCCN[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O4557.1Standard polar33892256
S-Adenosylmethioninamine,3TMS,isomer #4C[S+](CCCN([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3293.4Semi standard non polar33892256
S-Adenosylmethioninamine,3TMS,isomer #4C[S+](CCCN([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3344.4Standard non polar33892256
S-Adenosylmethioninamine,3TMS,isomer #4C[S+](CCCN([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O4722.7Standard polar33892256
S-Adenosylmethioninamine,3TMS,isomer #5C[S+](CCCN)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3157.4Semi standard non polar33892256
S-Adenosylmethioninamine,3TMS,isomer #5C[S+](CCCN)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3286.7Standard non polar33892256
S-Adenosylmethioninamine,3TMS,isomer #5C[S+](CCCN)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O4404.2Standard polar33892256
S-Adenosylmethioninamine,3TMS,isomer #6C[S+](CCCN[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3246.2Semi standard non polar33892256
S-Adenosylmethioninamine,3TMS,isomer #6C[S+](CCCN[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3299.6Standard non polar33892256
S-Adenosylmethioninamine,3TMS,isomer #6C[S+](CCCN[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C4527.8Standard polar33892256
S-Adenosylmethioninamine,3TMS,isomer #7C[S+](CCCN([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3298.0Semi standard non polar33892256
S-Adenosylmethioninamine,3TMS,isomer #7C[S+](CCCN([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3329.9Standard non polar33892256
S-Adenosylmethioninamine,3TMS,isomer #7C[S+](CCCN([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C4707.4Standard polar33892256
S-Adenosylmethioninamine,3TMS,isomer #8C[S+](CCCN)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3161.2Semi standard non polar33892256
S-Adenosylmethioninamine,3TMS,isomer #8C[S+](CCCN)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3278.9Standard non polar33892256
S-Adenosylmethioninamine,3TMS,isomer #8C[S+](CCCN)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C4383.5Standard polar33892256
S-Adenosylmethioninamine,3TMS,isomer #9C[S+](CCCN([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3362.2Semi standard non polar33892256
S-Adenosylmethioninamine,3TMS,isomer #9C[S+](CCCN([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3418.0Standard non polar33892256
S-Adenosylmethioninamine,3TMS,isomer #9C[S+](CCCN([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O4726.0Standard polar33892256
S-Adenosylmethioninamine,4TMS,isomer #1C[S+](CCCN[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3214.8Semi standard non polar33892256
S-Adenosylmethioninamine,4TMS,isomer #1C[S+](CCCN[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3314.6Standard non polar33892256
S-Adenosylmethioninamine,4TMS,isomer #1C[S+](CCCN[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4194.8Standard polar33892256
S-Adenosylmethioninamine,4TMS,isomer #2C[S+](CCCN([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3270.6Semi standard non polar33892256
S-Adenosylmethioninamine,4TMS,isomer #2C[S+](CCCN([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3318.7Standard non polar33892256
S-Adenosylmethioninamine,4TMS,isomer #2C[S+](CCCN([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4469.6Standard polar33892256
S-Adenosylmethioninamine,4TMS,isomer #3C[S+](CCCN)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3148.6Semi standard non polar33892256
S-Adenosylmethioninamine,4TMS,isomer #3C[S+](CCCN)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3263.6Standard non polar33892256
S-Adenosylmethioninamine,4TMS,isomer #3C[S+](CCCN)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4131.9Standard polar33892256
S-Adenosylmethioninamine,4TMS,isomer #4C[S+](CCCN([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3347.5Semi standard non polar33892256
S-Adenosylmethioninamine,4TMS,isomer #4C[S+](CCCN([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3407.2Standard non polar33892256
S-Adenosylmethioninamine,4TMS,isomer #4C[S+](CCCN([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O4353.5Standard polar33892256
S-Adenosylmethioninamine,4TMS,isomer #5C[S+](CCCN[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3190.4Semi standard non polar33892256
S-Adenosylmethioninamine,4TMS,isomer #5C[S+](CCCN[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3353.5Standard non polar33892256
S-Adenosylmethioninamine,4TMS,isomer #5C[S+](CCCN[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3963.5Standard polar33892256
S-Adenosylmethioninamine,4TMS,isomer #6C[S+](CCCN([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3350.4Semi standard non polar33892256
S-Adenosylmethioninamine,4TMS,isomer #6C[S+](CCCN([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3399.3Standard non polar33892256
S-Adenosylmethioninamine,4TMS,isomer #6C[S+](CCCN([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C4326.3Standard polar33892256
S-Adenosylmethioninamine,4TMS,isomer #7C[S+](CCCN[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3197.8Semi standard non polar33892256
S-Adenosylmethioninamine,4TMS,isomer #7C[S+](CCCN[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3347.5Standard non polar33892256
S-Adenosylmethioninamine,4TMS,isomer #7C[S+](CCCN[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3934.8Standard polar33892256
S-Adenosylmethioninamine,4TMS,isomer #8C[S+](CCCN([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3356.7Semi standard non polar33892256
S-Adenosylmethioninamine,4TMS,isomer #8C[S+](CCCN([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3453.7Standard non polar33892256
S-Adenosylmethioninamine,4TMS,isomer #8C[S+](CCCN([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O4145.1Standard polar33892256
S-Adenosylmethioninamine,5TMS,isomer #1C[S+](CCCN([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3348.7Semi standard non polar33892256
S-Adenosylmethioninamine,5TMS,isomer #1C[S+](CCCN([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3394.8Standard non polar33892256
S-Adenosylmethioninamine,5TMS,isomer #1C[S+](CCCN([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4066.0Standard polar33892256
S-Adenosylmethioninamine,5TMS,isomer #2C[S+](CCCN[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3194.9Semi standard non polar33892256
S-Adenosylmethioninamine,5TMS,isomer #2C[S+](CCCN[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3326.4Standard non polar33892256
S-Adenosylmethioninamine,5TMS,isomer #2C[S+](CCCN[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3672.5Standard polar33892256
S-Adenosylmethioninamine,5TMS,isomer #3C[S+](CCCN([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3360.2Semi standard non polar33892256
S-Adenosylmethioninamine,5TMS,isomer #3C[S+](CCCN([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3423.6Standard non polar33892256
S-Adenosylmethioninamine,5TMS,isomer #3C[S+](CCCN([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3823.3Standard polar33892256
S-Adenosylmethioninamine,5TMS,isomer #4C[S+](CCCN([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3361.8Semi standard non polar33892256
S-Adenosylmethioninamine,5TMS,isomer #4C[S+](CCCN([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3415.2Standard non polar33892256
S-Adenosylmethioninamine,5TMS,isomer #4C[S+](CCCN([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3791.5Standard polar33892256
S-Adenosylmethioninamine,6TMS,isomer #1C[S+](CCCN([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3383.7Semi standard non polar33892256
S-Adenosylmethioninamine,6TMS,isomer #1C[S+](CCCN([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3386.2Standard non polar33892256
S-Adenosylmethioninamine,6TMS,isomer #1C[S+](CCCN([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3562.2Standard polar33892256
S-Adenosylmethioninamine,1TBDMS,isomer #1C[S+](CCCN)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O3420.2Semi standard non polar33892256
S-Adenosylmethioninamine,1TBDMS,isomer #2C[S+](CCCN)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C3423.9Semi standard non polar33892256
S-Adenosylmethioninamine,1TBDMS,isomer #3C[S+](CCCN[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O3477.5Semi standard non polar33892256
S-Adenosylmethioninamine,1TBDMS,isomer #4C[S+](CCCN)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3456.9Semi standard non polar33892256
S-Adenosylmethioninamine,2TBDMS,isomer #1C[S+](CCCN)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3574.2Semi standard non polar33892256
S-Adenosylmethioninamine,2TBDMS,isomer #2C[S+](CCCN[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O3612.4Semi standard non polar33892256
S-Adenosylmethioninamine,2TBDMS,isomer #3C[S+](CCCN)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O3577.5Semi standard non polar33892256
S-Adenosylmethioninamine,2TBDMS,isomer #4C[S+](CCCN[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C3615.1Semi standard non polar33892256
S-Adenosylmethioninamine,2TBDMS,isomer #5C[S+](CCCN)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C3576.0Semi standard non polar33892256
S-Adenosylmethioninamine,2TBDMS,isomer #6C[S+](CCCN[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3656.0Semi standard non polar33892256
S-Adenosylmethioninamine,2TBDMS,isomer #7C[S+](CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O3692.0Semi standard non polar33892256
S-Adenosylmethioninamine,2TBDMS,isomer #8C[S+](CCCN)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3546.7Semi standard non polar33892256
S-Adenosylmethioninamine,3TBDMS,isomer #1C[S+](CCCN[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3739.3Semi standard non polar33892256
S-Adenosylmethioninamine,3TBDMS,isomer #1C[S+](CCCN[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3777.7Standard non polar33892256
S-Adenosylmethioninamine,3TBDMS,isomer #1C[S+](CCCN[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4596.9Standard polar33892256
S-Adenosylmethioninamine,3TBDMS,isomer #10C[S+](CCCN[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3748.8Semi standard non polar33892256
S-Adenosylmethioninamine,3TBDMS,isomer #10C[S+](CCCN[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3927.2Standard non polar33892256
S-Adenosylmethioninamine,3TBDMS,isomer #10C[S+](CCCN[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O4318.3Standard polar33892256
S-Adenosylmethioninamine,3TBDMS,isomer #2C[S+](CCCN)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3721.4Semi standard non polar33892256
S-Adenosylmethioninamine,3TBDMS,isomer #2C[S+](CCCN)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3792.5Standard non polar33892256
S-Adenosylmethioninamine,3TBDMS,isomer #2C[S+](CCCN)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4605.0Standard polar33892256
S-Adenosylmethioninamine,3TBDMS,isomer #3C[S+](CCCN[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O3773.1Semi standard non polar33892256
S-Adenosylmethioninamine,3TBDMS,isomer #3C[S+](CCCN[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O3885.0Standard non polar33892256
S-Adenosylmethioninamine,3TBDMS,isomer #3C[S+](CCCN[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4522.2Standard polar33892256
S-Adenosylmethioninamine,3TBDMS,isomer #4C[S+](CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O3852.6Semi standard non polar33892256
S-Adenosylmethioninamine,3TBDMS,isomer #4C[S+](CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O3888.2Standard non polar33892256
S-Adenosylmethioninamine,3TBDMS,isomer #4C[S+](CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4678.9Standard polar33892256
S-Adenosylmethioninamine,3TBDMS,isomer #5C[S+](CCCN)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O3670.2Semi standard non polar33892256
S-Adenosylmethioninamine,3TBDMS,isomer #5C[S+](CCCN)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O3861.9Standard non polar33892256
S-Adenosylmethioninamine,3TBDMS,isomer #5C[S+](CCCN)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4389.6Standard polar33892256
S-Adenosylmethioninamine,3TBDMS,isomer #6C[S+](CCCN[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C3770.9Semi standard non polar33892256
S-Adenosylmethioninamine,3TBDMS,isomer #6C[S+](CCCN[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C3873.7Standard non polar33892256
S-Adenosylmethioninamine,3TBDMS,isomer #6C[S+](CCCN[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4499.1Standard polar33892256
S-Adenosylmethioninamine,3TBDMS,isomer #7C[S+](CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C3860.6Semi standard non polar33892256
S-Adenosylmethioninamine,3TBDMS,isomer #7C[S+](CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C3875.0Standard non polar33892256
S-Adenosylmethioninamine,3TBDMS,isomer #7C[S+](CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4663.9Standard polar33892256
S-Adenosylmethioninamine,3TBDMS,isomer #8C[S+](CCCN)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C3673.1Semi standard non polar33892256
S-Adenosylmethioninamine,3TBDMS,isomer #8C[S+](CCCN)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C3851.6Standard non polar33892256
S-Adenosylmethioninamine,3TBDMS,isomer #8C[S+](CCCN)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4370.5Standard polar33892256
S-Adenosylmethioninamine,3TBDMS,isomer #9C[S+](CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3877.8Semi standard non polar33892256
S-Adenosylmethioninamine,3TBDMS,isomer #9C[S+](CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3958.4Standard non polar33892256
S-Adenosylmethioninamine,3TBDMS,isomer #9C[S+](CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O4651.6Standard polar33892256
S-Adenosylmethioninamine,4TBDMS,isomer #1C[S+](CCCN[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3897.1Semi standard non polar33892256
S-Adenosylmethioninamine,4TBDMS,isomer #1C[S+](CCCN[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4011.1Standard non polar33892256
S-Adenosylmethioninamine,4TBDMS,isomer #1C[S+](CCCN[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4320.5Standard polar33892256
S-Adenosylmethioninamine,4TBDMS,isomer #2C[S+](CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3996.4Semi standard non polar33892256
S-Adenosylmethioninamine,4TBDMS,isomer #2C[S+](CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3972.1Standard non polar33892256
S-Adenosylmethioninamine,4TBDMS,isomer #2C[S+](CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4517.6Standard polar33892256
S-Adenosylmethioninamine,4TBDMS,isomer #3C[S+](CCCN)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3798.7Semi standard non polar33892256
S-Adenosylmethioninamine,4TBDMS,isomer #3C[S+](CCCN)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3945.3Standard non polar33892256
S-Adenosylmethioninamine,4TBDMS,isomer #3C[S+](CCCN)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4230.9Standard polar33892256
S-Adenosylmethioninamine,4TBDMS,isomer #4C[S+](CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4020.9Semi standard non polar33892256
S-Adenosylmethioninamine,4TBDMS,isomer #4C[S+](CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4110.9Standard non polar33892256
S-Adenosylmethioninamine,4TBDMS,isomer #4C[S+](CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4410.7Standard polar33892256
S-Adenosylmethioninamine,4TBDMS,isomer #5C[S+](CCCN[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O3878.8Semi standard non polar33892256
S-Adenosylmethioninamine,4TBDMS,isomer #5C[S+](CCCN[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4063.8Standard non polar33892256
S-Adenosylmethioninamine,4TBDMS,isomer #5C[S+](CCCN[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4108.1Standard polar33892256
S-Adenosylmethioninamine,4TBDMS,isomer #6C[S+](CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4020.9Semi standard non polar33892256
S-Adenosylmethioninamine,4TBDMS,isomer #6C[S+](CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4098.4Standard non polar33892256
S-Adenosylmethioninamine,4TBDMS,isomer #6C[S+](CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4391.4Standard polar33892256
S-Adenosylmethioninamine,4TBDMS,isomer #7C[S+](CCCN[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C3880.7Semi standard non polar33892256
S-Adenosylmethioninamine,4TBDMS,isomer #7C[S+](CCCN[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4052.1Standard non polar33892256
S-Adenosylmethioninamine,4TBDMS,isomer #7C[S+](CCCN[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4083.8Standard polar33892256
S-Adenosylmethioninamine,4TBDMS,isomer #8C[S+](CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O4033.8Semi standard non polar33892256
S-Adenosylmethioninamine,4TBDMS,isomer #8C[S+](CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O4157.3Standard non polar33892256
S-Adenosylmethioninamine,4TBDMS,isomer #8C[S+](CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O4201.6Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - S-Adenosylmethioninamine GC-MS (Non-derivatized) - 70eV, Positivesplash10-06wi-7923000000-45e056b479c0e2cba3642017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - S-Adenosylmethioninamine GC-MS (2 TMS) - 70eV, Positivesplash10-00ai-8291700000-8e1b09746b1c704e209f2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - S-Adenosylmethioninamine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - S-Adenosylmethioninamine GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - S-Adenosylmethioninamine GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - S-Adenosylmethioninamine GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - S-Adenosylmethioninamine GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - S-Adenosylmethioninamine GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - S-Adenosylmethioninamine GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - S-Adenosylmethioninamine GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - S-Adenosylmethioninamine GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - S-Adenosylmethioninamine GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - S-Adenosylmethioninamine GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - S-Adenosylmethioninamine GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - S-Adenosylmethioninamine GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - S-Adenosylmethioninamine GC-MS (TBDMS_1_2) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - S-Adenosylmethioninamine GC-MS (TBDMS_1_3) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - S-Adenosylmethioninamine GC-MS (TBDMS_1_4) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - S-Adenosylmethioninamine GC-MS (TBDMS_2_1) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - S-Adenosylmethioninamine GC-MS (TBDMS_2_2) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - S-Adenosylmethioninamine GC-MS (TBDMS_2_3) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - S-Adenosylmethioninamine GC-MS (TBDMS_2_4) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - S-Adenosylmethioninamine GC-MS (TBDMS_2_5) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - S-Adenosylmethioninamine GC-MS (TBDMS_2_6) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - S-Adenosylmethioninamine GC-MS (TBDMS_2_7) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - S-Adenosylmethioninamine 10V, Positive-QTOFsplash10-000i-0904000000-5a1b6a3a878c0630e6ea2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - S-Adenosylmethioninamine 20V, Positive-QTOFsplash10-000i-1900000000-70103a635ebc7c51a9852017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - S-Adenosylmethioninamine 40V, Positive-QTOFsplash10-000i-3900000000-65b9306b33b0ffc5e9fc2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - S-Adenosylmethioninamine 10V, Positive-QTOFsplash10-052r-0916000000-8fc88153f214f58b3dc22021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - S-Adenosylmethioninamine 20V, Positive-QTOFsplash10-000i-0900000000-8c8ee467ecf1a037a37b2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - S-Adenosylmethioninamine 40V, Positive-QTOFsplash10-05mx-7900000000-b79675da812011642f0b2021-09-25Wishart 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
Biological Properties
Cellular Locations
  • Cytoplasm
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot Available
Normal
      Not Available
details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB022353
KNApSAcK IDNot Available
Chemspider ID388529
KEGG Compound IDC01137
BioCyc IDS-ADENOSYLMETHIONINAMINE
BiGG ID36895
Wikipedia LinkS-Adenosylmethioninamine
METLIN ID3501
PubChem Compound439415
PDB IDNot Available
ChEBI ID15625
Food Biomarker OntologyNot Available
VMH IDAMETAM
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferencePegg, Anthony E. Assay of aminopropyltransferases. Methods in Enzymology (1983), 94(Polyamines), 260-5.
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Fontecave M, Atta M, Mulliez E: S-adenosylmethionine: nothing goes to waste. Trends Biochem Sci. 2004 May;29(5):243-9. [PubMed:15130560 ]

Enzymes

General function:
Involved in spermine synthase activity
Specific function:
Catalyzes the production of spermine from spermidine and decarboxylated S-adenosylmethionine (dcSAM).
Gene Name:
SMS
Uniprot ID:
P52788
Molecular weight:
35278.2
Reactions
S-Adenosylmethioninamine + Spermidine → 5'-Methylthioadenosine + Sperminedetails
General function:
Involved in catalytic activity
Specific function:
Catalyzes the production of spermidine from putrescine and decarboxylated S-adenosylmethionine (dcSAM). Has a strong preference for putrescine as substrate, and has very low activity towards 1,3-diaminopropane. Has extremely low activity towards spermidine.
Gene Name:
SRM
Uniprot ID:
P19623
Molecular weight:
33824.455
Reactions
S-Adenosylmethioninamine + Putrescine → 5'-Methylthioadenosine + Spermidinedetails
S-Adenosylmethioninamine + Spermidine → 5'-Methylthioadenosine + Sperminedetails
S-Adenosylmethioninamine + Cadaverine → 5'-Methylthioadenosine + Aminopropylcadaverinedetails
General function:
Involved in adenosylmethionine decarboxylase activity
Specific function:
Not Available
Gene Name:
AMD1
Uniprot ID:
P17707
Molecular weight:
21301.015
Reactions
S-Adenosylmethionine + Hydrogen Ion → S-Adenosylmethioninamine + Carbon dioxidedetails