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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2017-12-11 17:02:22 UTC
Update Date2022-09-22 18:35:13 UTC
HMDB IDHMDB0240254
Secondary Accession NumbersNone
Metabolite Identification
Common NameCreatine riboside
DescriptionCreatine riboside is a conjugate between creatine and ribose. It is a novel diagnostic marker for lung cancer that is elevated in the urine of non-small cell lung cancer subjects (PMID: 24736543 ). Creatine riboside may be a product of both high creatine levels within tumor cells and the characteristic high phosphate flux of cancer cells. Increased mutagenicity of creatine and ribose pyrolysis products in cooked foods has been reported, suggesting a functional role of creatine riboside in tumorigenesis (PMID: 24736543 ). Creatine riboside is likely not an enzyme-synthesized product as it can be formed spontaneously by mixing creatine with ribose. It can be synthesized in modestly high yields by reacting ribose and creatine in the presence of ammonium bicarbonate and heating the two compounds at 80°C for 10 minutes.
Structure
Data?1563892737
Synonyms
ValueSource
2-(2-(3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl)-1-methylcarbamimidamido)acetic acidHMDB
Β-D-ribofuranosylcreatineHMDB
beta-D-RibofuranosylcreatineHMDB
N-[Imino(β-D-ribofuranosylamino)methyl]-N-methylglycineHMDB
N-[Imino(beta-D-ribofuranosylamino)methyl]-N-methylglycineHMDB
Chemical FormulaC9H17N3O6
Average Molecular Weight263.25
Monoisotopic Molecular Weight263.111735279
IUPAC Name2-{N'-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-methylcarbamimidamido}acetic acid
Traditional Name{N'-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-methylcarbamimidamido}acetic acid
CAS Registry Number1616693-92-5
SMILES
CN(CC(O)=O)C(=N)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChI Identifier
InChI=1S/C9H17N3O6/c1-12(2-5(14)15)9(10)11-8-7(17)6(16)4(3-13)18-8/h4,6-8,13,16-17H,2-3H2,1H3,(H2,10,11)(H,14,15)/t4-,6-,7-,8-/m1/s1
InChI KeyBGJFEKXALPJEGN-XVFCMESISA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as glycosylamines. Glycosylamines are compounds consisting of an amine with a beta-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (alpha-amino ether).
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentGlycosylamines
Alternative Parents
Substituents
  • N-glycosyl compound
  • Alpha-amino acid or derivatives
  • Pentose monosaccharide
  • Monosaccharide
  • Oxolane
  • 1,2-diol
  • Amino acid or derivatives
  • Guanidine
  • Amino acid
  • Secondary alcohol
  • Tertiary amine
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Oxacycle
  • Carboximidamide
  • Organoheterocyclic compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Organic nitrogen compound
  • Imine
  • Organic oxide
  • Carbonyl group
  • Primary alcohol
  • Amine
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
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
logP-2.4ALOGPS
logP-4.4ChemAxon
logS-1.8ALOGPS
pKa (Strongest Acidic)3.09ChemAxon
pKa (Strongest Basic)11.44ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area146.34 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity68.49 m³·mol⁻¹ChemAxon
Polarizability24.42 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
AllCCS[M-H]-158.00531661259
AllCCS[M+H]+158.2731661259
DeepCCS[M+H]+158.70830932474
DeepCCS[M-H]-156.32930932474
DeepCCS[M-2H]-190.72330932474
DeepCCS[M+Na]+166.14930932474
AllCCS[M+H]+158.332859911
AllCCS[M+H-H2O]+154.932859911
AllCCS[M+NH4]+161.432859911
AllCCS[M+Na]+162.332859911
AllCCS[M-H]-158.032859911
AllCCS[M+Na-2H]-158.332859911
AllCCS[M+HCOO]-158.632859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Creatine ribosideCN(CC(O)=O)C(=N)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O3742.2Standard polar33892256
Creatine ribosideCN(CC(O)=O)C(=N)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O2270.4Standard non polar33892256
Creatine ribosideCN(CC(O)=O)C(=N)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O2555.2Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Creatine riboside,1TMS,isomer #1CN(CC(=O)O[Si](C)(C)C)C(=N)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O2468.5Semi standard non polar33892256
Creatine riboside,1TMS,isomer #2CN(CC(=O)O)C(=N)N[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O2499.2Semi standard non polar33892256
Creatine riboside,1TMS,isomer #3CN(CC(=O)O)C(=N)N[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O2496.2Semi standard non polar33892256
Creatine riboside,1TMS,isomer #4CN(CC(=O)O)C(=N)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C2496.8Semi standard non polar33892256
Creatine riboside,1TMS,isomer #5CN(CC(=O)O)C(=N[Si](C)(C)C)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O2443.8Semi standard non polar33892256
Creatine riboside,1TMS,isomer #6CN(CC(=O)O)C(=N)N([C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[Si](C)(C)C2476.0Semi standard non polar33892256
Creatine riboside,2TMS,isomer #1CN(CC(=O)O[Si](C)(C)C)C(=N)N[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O2509.2Semi standard non polar33892256
Creatine riboside,2TMS,isomer #10CN(CC(=O)O)C(=N)N[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C2453.8Semi standard non polar33892256
Creatine riboside,2TMS,isomer #11CN(CC(=O)O)C(=N[Si](C)(C)C)N[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O2451.7Semi standard non polar33892256
Creatine riboside,2TMS,isomer #12CN(CC(=O)O)C(=N)N([C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C2444.9Semi standard non polar33892256
Creatine riboside,2TMS,isomer #13CN(CC(=O)O)C(=N[Si](C)(C)C)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C2443.1Semi standard non polar33892256
Creatine riboside,2TMS,isomer #14CN(CC(=O)O)C(=N)N([C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C2453.9Semi standard non polar33892256
Creatine riboside,2TMS,isomer #15CN(CC(=O)O)C(=N[Si](C)(C)C)N([C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[Si](C)(C)C2440.4Semi standard non polar33892256
Creatine riboside,2TMS,isomer #2CN(CC(=O)O[Si](C)(C)C)C(=N)N[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O2485.0Semi standard non polar33892256
Creatine riboside,2TMS,isomer #3CN(CC(=O)O[Si](C)(C)C)C(=N)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C2477.1Semi standard non polar33892256
Creatine riboside,2TMS,isomer #4CN(CC(=O)O[Si](C)(C)C)C(=N[Si](C)(C)C)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O2445.2Semi standard non polar33892256
Creatine riboside,2TMS,isomer #5CN(CC(=O)O[Si](C)(C)C)C(=N)N([C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[Si](C)(C)C2442.7Semi standard non polar33892256
Creatine riboside,2TMS,isomer #6CN(CC(=O)O)C(=N)N[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O2483.8Semi standard non polar33892256
Creatine riboside,2TMS,isomer #7CN(CC(=O)O)C(=N)N[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C2504.8Semi standard non polar33892256
Creatine riboside,2TMS,isomer #8CN(CC(=O)O)C(=N[Si](C)(C)C)N[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O2465.2Semi standard non polar33892256
Creatine riboside,2TMS,isomer #9CN(CC(=O)O)C(=N)N([C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O)[Si](C)(C)C2472.9Semi standard non polar33892256
Creatine riboside,3TMS,isomer #1CN(CC(=O)O[Si](C)(C)C)C(=N)N[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O2488.8Semi standard non polar33892256
Creatine riboside,3TMS,isomer #10CN(CC(=O)O[Si](C)(C)C)C(=N[Si](C)(C)C)N([C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[Si](C)(C)C2418.5Semi standard non polar33892256
Creatine riboside,3TMS,isomer #11CN(CC(=O)O)C(=N)N[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C2470.8Semi standard non polar33892256
Creatine riboside,3TMS,isomer #12CN(CC(=O)O)C(=N[Si](C)(C)C)N[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O2456.8Semi standard non polar33892256
Creatine riboside,3TMS,isomer #13CN(CC(=O)O)C(=N)N([C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C2446.7Semi standard non polar33892256
Creatine riboside,3TMS,isomer #14CN(CC(=O)O)C(=N[Si](C)(C)C)N[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C2465.8Semi standard non polar33892256
Creatine riboside,3TMS,isomer #15CN(CC(=O)O)C(=N)N([C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C2465.6Semi standard non polar33892256
Creatine riboside,3TMS,isomer #16CN(CC(=O)O)C(=N[Si](C)(C)C)N([C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O)[Si](C)(C)C2456.9Semi standard non polar33892256
Creatine riboside,3TMS,isomer #17CN(CC(=O)O)C(=N[Si](C)(C)C)N[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C2421.5Semi standard non polar33892256
Creatine riboside,3TMS,isomer #18CN(CC(=O)O)C(=N)N([C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C2435.7Semi standard non polar33892256
Creatine riboside,3TMS,isomer #19CN(CC(=O)O)C(=N[Si](C)(C)C)N([C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C2432.1Semi standard non polar33892256
Creatine riboside,3TMS,isomer #2CN(CC(=O)O[Si](C)(C)C)C(=N)N[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C2508.7Semi standard non polar33892256
Creatine riboside,3TMS,isomer #20CN(CC(=O)O)C(=N[Si](C)(C)C)N([C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C2426.6Semi standard non polar33892256
Creatine riboside,3TMS,isomer #3CN(CC(=O)O[Si](C)(C)C)C(=N[Si](C)(C)C)N[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O2460.3Semi standard non polar33892256
Creatine riboside,3TMS,isomer #4CN(CC(=O)O[Si](C)(C)C)C(=N)N([C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O)[Si](C)(C)C2456.9Semi standard non polar33892256
Creatine riboside,3TMS,isomer #5CN(CC(=O)O[Si](C)(C)C)C(=N)N[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C2442.6Semi standard non polar33892256
Creatine riboside,3TMS,isomer #6CN(CC(=O)O[Si](C)(C)C)C(=N[Si](C)(C)C)N[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O2445.4Semi standard non polar33892256
Creatine riboside,3TMS,isomer #7CN(CC(=O)O[Si](C)(C)C)C(=N)N([C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C2414.7Semi standard non polar33892256
Creatine riboside,3TMS,isomer #8CN(CC(=O)O[Si](C)(C)C)C(=N[Si](C)(C)C)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C2438.6Semi standard non polar33892256
Creatine riboside,3TMS,isomer #9CN(CC(=O)O[Si](C)(C)C)C(=N)N([C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C2422.8Semi standard non polar33892256
Creatine riboside,4TMS,isomer #1CN(CC(=O)O[Si](C)(C)C)C(=N)N[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C2459.2Semi standard non polar33892256
Creatine riboside,4TMS,isomer #10CN(CC(=O)O[Si](C)(C)C)C(=N[Si](C)(C)C)N([C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C2436.7Semi standard non polar33892256
Creatine riboside,4TMS,isomer #11CN(CC(=O)O)C(=N[Si](C)(C)C)N[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C2434.8Semi standard non polar33892256
Creatine riboside,4TMS,isomer #12CN(CC(=O)O)C(=N)N([C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C2451.4Semi standard non polar33892256
Creatine riboside,4TMS,isomer #13CN(CC(=O)O)C(=N[Si](C)(C)C)N([C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C2446.6Semi standard non polar33892256
Creatine riboside,4TMS,isomer #14CN(CC(=O)O)C(=N[Si](C)(C)C)N([C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C2455.0Semi standard non polar33892256
Creatine riboside,4TMS,isomer #15CN(CC(=O)O)C(=N[Si](C)(C)C)N([C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C2438.3Semi standard non polar33892256
Creatine riboside,4TMS,isomer #2CN(CC(=O)O[Si](C)(C)C)C(=N[Si](C)(C)C)N[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O2457.6Semi standard non polar33892256
Creatine riboside,4TMS,isomer #3CN(CC(=O)O[Si](C)(C)C)C(=N)N([C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C2462.5Semi standard non polar33892256
Creatine riboside,4TMS,isomer #4CN(CC(=O)O[Si](C)(C)C)C(=N[Si](C)(C)C)N[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C2475.3Semi standard non polar33892256
Creatine riboside,4TMS,isomer #5CN(CC(=O)O[Si](C)(C)C)C(=N)N([C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C2476.0Semi standard non polar33892256
Creatine riboside,4TMS,isomer #6CN(CC(=O)O[Si](C)(C)C)C(=N[Si](C)(C)C)N([C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O)[Si](C)(C)C2463.1Semi standard non polar33892256
Creatine riboside,4TMS,isomer #7CN(CC(=O)O[Si](C)(C)C)C(=N[Si](C)(C)C)N[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C2418.2Semi standard non polar33892256
Creatine riboside,4TMS,isomer #8CN(CC(=O)O[Si](C)(C)C)C(=N)N([C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C2438.2Semi standard non polar33892256
Creatine riboside,4TMS,isomer #9CN(CC(=O)O[Si](C)(C)C)C(=N[Si](C)(C)C)N([C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C2441.5Semi standard non polar33892256
Creatine riboside,5TMS,isomer #1CN(CC(=O)O[Si](C)(C)C)C(=N[Si](C)(C)C)N[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C2423.4Semi standard non polar33892256
Creatine riboside,5TMS,isomer #1CN(CC(=O)O[Si](C)(C)C)C(=N[Si](C)(C)C)N[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C2243.3Standard non polar33892256
Creatine riboside,5TMS,isomer #1CN(CC(=O)O[Si](C)(C)C)C(=N[Si](C)(C)C)N[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3168.8Standard polar33892256
Creatine riboside,5TMS,isomer #2CN(CC(=O)O[Si](C)(C)C)C(=N)N([C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C2481.9Semi standard non polar33892256
Creatine riboside,5TMS,isomer #2CN(CC(=O)O[Si](C)(C)C)C(=N)N([C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C2399.2Standard non polar33892256
Creatine riboside,5TMS,isomer #2CN(CC(=O)O[Si](C)(C)C)C(=N)N([C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C2997.2Standard polar33892256
Creatine riboside,5TMS,isomer #3CN(CC(=O)O[Si](C)(C)C)C(=N[Si](C)(C)C)N([C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C2455.0Semi standard non polar33892256
Creatine riboside,5TMS,isomer #3CN(CC(=O)O[Si](C)(C)C)C(=N[Si](C)(C)C)N([C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C2252.8Standard non polar33892256
Creatine riboside,5TMS,isomer #3CN(CC(=O)O[Si](C)(C)C)C(=N[Si](C)(C)C)N([C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C2905.4Standard polar33892256
Creatine riboside,5TMS,isomer #4CN(CC(=O)O[Si](C)(C)C)C(=N[Si](C)(C)C)N([C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C2464.1Semi standard non polar33892256
Creatine riboside,5TMS,isomer #4CN(CC(=O)O[Si](C)(C)C)C(=N[Si](C)(C)C)N([C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C2265.5Standard non polar33892256
Creatine riboside,5TMS,isomer #4CN(CC(=O)O[Si](C)(C)C)C(=N[Si](C)(C)C)N([C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C2931.7Standard polar33892256
Creatine riboside,5TMS,isomer #5CN(CC(=O)O[Si](C)(C)C)C(=N[Si](C)(C)C)N([C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C2452.3Semi standard non polar33892256
Creatine riboside,5TMS,isomer #5CN(CC(=O)O[Si](C)(C)C)C(=N[Si](C)(C)C)N([C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C2270.6Standard non polar33892256
Creatine riboside,5TMS,isomer #5CN(CC(=O)O[Si](C)(C)C)C(=N[Si](C)(C)C)N([C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C2865.5Standard polar33892256
Creatine riboside,5TMS,isomer #6CN(CC(=O)O)C(=N[Si](C)(C)C)N([C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C2445.5Semi standard non polar33892256
Creatine riboside,5TMS,isomer #6CN(CC(=O)O)C(=N[Si](C)(C)C)N([C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C2255.2Standard non polar33892256
Creatine riboside,5TMS,isomer #6CN(CC(=O)O)C(=N[Si](C)(C)C)N([C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C2899.7Standard polar33892256
Creatine riboside,6TMS,isomer #1CN(CC(=O)O[Si](C)(C)C)C(=N[Si](C)(C)C)N([C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C2477.9Semi standard non polar33892256
Creatine riboside,6TMS,isomer #1CN(CC(=O)O[Si](C)(C)C)C(=N[Si](C)(C)C)N([C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C2305.4Standard non polar33892256
Creatine riboside,6TMS,isomer #1CN(CC(=O)O[Si](C)(C)C)C(=N[Si](C)(C)C)N([C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C2717.1Standard polar33892256
Creatine riboside,1TBDMS,isomer #1CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(=N)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O2715.4Semi standard non polar33892256
Creatine riboside,1TBDMS,isomer #2CN(CC(=O)O)C(=N)N[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O2766.1Semi standard non polar33892256
Creatine riboside,1TBDMS,isomer #3CN(CC(=O)O)C(=N)N[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O2736.3Semi standard non polar33892256
Creatine riboside,1TBDMS,isomer #4CN(CC(=O)O)C(=N)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C2727.8Semi standard non polar33892256
Creatine riboside,1TBDMS,isomer #5CN(CC(=O)O)C(=N[Si](C)(C)C(C)(C)C)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O2714.7Semi standard non polar33892256
Creatine riboside,1TBDMS,isomer #6CN(CC(=O)O)C(=N)N([C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C2710.8Semi standard non polar33892256
Creatine riboside,2TBDMS,isomer #1CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(=N)N[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O2988.6Semi standard non polar33892256
Creatine riboside,2TBDMS,isomer #10CN(CC(=O)O)C(=N)N[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C2925.2Semi standard non polar33892256
Creatine riboside,2TBDMS,isomer #11CN(CC(=O)O)C(=N[Si](C)(C)C(C)(C)C)N[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O2921.3Semi standard non polar33892256
Creatine riboside,2TBDMS,isomer #12CN(CC(=O)O)C(=N)N([C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C2907.8Semi standard non polar33892256
Creatine riboside,2TBDMS,isomer #13CN(CC(=O)O)C(=N[Si](C)(C)C(C)(C)C)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C2905.9Semi standard non polar33892256
Creatine riboside,2TBDMS,isomer #14CN(CC(=O)O)C(=N)N([C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2906.3Semi standard non polar33892256
Creatine riboside,2TBDMS,isomer #15CN(CC(=O)O)C(=N[Si](C)(C)C(C)(C)C)N([C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C2886.9Semi standard non polar33892256
Creatine riboside,2TBDMS,isomer #2CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(=N)N[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O2958.7Semi standard non polar33892256
Creatine riboside,2TBDMS,isomer #3CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(=N)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C2945.9Semi standard non polar33892256
Creatine riboside,2TBDMS,isomer #4CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O2918.0Semi standard non polar33892256
Creatine riboside,2TBDMS,isomer #5CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(=N)N([C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C2874.8Semi standard non polar33892256
Creatine riboside,2TBDMS,isomer #6CN(CC(=O)O)C(=N)N[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O2973.9Semi standard non polar33892256
Creatine riboside,2TBDMS,isomer #7CN(CC(=O)O)C(=N)N[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C2990.4Semi standard non polar33892256
Creatine riboside,2TBDMS,isomer #8CN(CC(=O)O)C(=N[Si](C)(C)C(C)(C)C)N[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O2949.8Semi standard non polar33892256
Creatine riboside,2TBDMS,isomer #9CN(CC(=O)O)C(=N)N([C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C2934.5Semi standard non polar33892256
Creatine riboside,3TBDMS,isomer #1CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(=N)N[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O3165.1Semi standard non polar33892256
Creatine riboside,3TBDMS,isomer #10CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N([C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C3067.9Semi standard non polar33892256
Creatine riboside,3TBDMS,isomer #11CN(CC(=O)O)C(=N)N[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C3149.2Semi standard non polar33892256
Creatine riboside,3TBDMS,isomer #12CN(CC(=O)O)C(=N[Si](C)(C)C(C)(C)C)N[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O3125.6Semi standard non polar33892256
Creatine riboside,3TBDMS,isomer #13CN(CC(=O)O)C(=N)N([C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C3116.5Semi standard non polar33892256
Creatine riboside,3TBDMS,isomer #14CN(CC(=O)O)C(=N[Si](C)(C)C(C)(C)C)N[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C3134.4Semi standard non polar33892256
Creatine riboside,3TBDMS,isomer #15CN(CC(=O)O)C(=N)N([C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3122.6Semi standard non polar33892256
Creatine riboside,3TBDMS,isomer #16CN(CC(=O)O)C(=N[Si](C)(C)C(C)(C)C)N([C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C3086.5Semi standard non polar33892256
Creatine riboside,3TBDMS,isomer #17CN(CC(=O)O)C(=N[Si](C)(C)C(C)(C)C)N[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C3091.2Semi standard non polar33892256
Creatine riboside,3TBDMS,isomer #18CN(CC(=O)O)C(=N)N([C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3093.6Semi standard non polar33892256
Creatine riboside,3TBDMS,isomer #19CN(CC(=O)O)C(=N[Si](C)(C)C(C)(C)C)N([C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C3088.5Semi standard non polar33892256
Creatine riboside,3TBDMS,isomer #2CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(=N)N[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C3176.8Semi standard non polar33892256
Creatine riboside,3TBDMS,isomer #20CN(CC(=O)O)C(=N[Si](C)(C)C(C)(C)C)N([C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3076.0Semi standard non polar33892256
Creatine riboside,3TBDMS,isomer #3CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O3127.6Semi standard non polar33892256
Creatine riboside,3TBDMS,isomer #4CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(=N)N([C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C3087.4Semi standard non polar33892256
Creatine riboside,3TBDMS,isomer #5CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(=N)N[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C3132.7Semi standard non polar33892256
Creatine riboside,3TBDMS,isomer #6CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O3122.7Semi standard non polar33892256
Creatine riboside,3TBDMS,isomer #7CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(=N)N([C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C3073.3Semi standard non polar33892256
Creatine riboside,3TBDMS,isomer #8CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C3109.1Semi standard non polar33892256
Creatine riboside,3TBDMS,isomer #9CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(=N)N([C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3070.5Semi standard non polar33892256
Creatine riboside,4TBDMS,isomer #1CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(=N)N[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C3325.7Semi standard non polar33892256
Creatine riboside,4TBDMS,isomer #10CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N([C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3256.7Semi standard non polar33892256
Creatine riboside,4TBDMS,isomer #11CN(CC(=O)O)C(=N[Si](C)(C)C(C)(C)C)N[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C3276.9Semi standard non polar33892256
Creatine riboside,4TBDMS,isomer #12CN(CC(=O)O)C(=N)N([C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3301.1Semi standard non polar33892256
Creatine riboside,4TBDMS,isomer #13CN(CC(=O)O)C(=N[Si](C)(C)C(C)(C)C)N([C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C3276.5Semi standard non polar33892256
Creatine riboside,4TBDMS,isomer #14CN(CC(=O)O)C(=N[Si](C)(C)C(C)(C)C)N([C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3276.0Semi standard non polar33892256
Creatine riboside,4TBDMS,isomer #15CN(CC(=O)O)C(=N[Si](C)(C)C(C)(C)C)N([C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3261.8Semi standard non polar33892256
Creatine riboside,4TBDMS,isomer #2CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O3289.4Semi standard non polar33892256
Creatine riboside,4TBDMS,isomer #3CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(=N)N([C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C3283.3Semi standard non polar33892256
Creatine riboside,4TBDMS,isomer #4CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C3305.2Semi standard non polar33892256
Creatine riboside,4TBDMS,isomer #5CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(=N)N([C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3286.0Semi standard non polar33892256
Creatine riboside,4TBDMS,isomer #6CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N([C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C3267.3Semi standard non polar33892256
Creatine riboside,4TBDMS,isomer #7CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C3272.3Semi standard non polar33892256
Creatine riboside,4TBDMS,isomer #8CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(=N)N([C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3264.3Semi standard non polar33892256
Creatine riboside,4TBDMS,isomer #9CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N([C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C3272.9Semi standard non polar33892256
Creatine riboside,5TBDMS,isomer #1CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C3443.2Semi standard non polar33892256
Creatine riboside,5TBDMS,isomer #1CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C3028.5Standard non polar33892256
Creatine riboside,5TBDMS,isomer #1CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C3441.5Standard polar33892256
Creatine riboside,5TBDMS,isomer #2CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(=N)N([C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3485.2Semi standard non polar33892256
Creatine riboside,5TBDMS,isomer #2CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(=N)N([C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3265.0Standard non polar33892256
Creatine riboside,5TBDMS,isomer #2CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(=N)N([C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3367.8Standard polar33892256
Creatine riboside,5TBDMS,isomer #3CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N([C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C3438.2Semi standard non polar33892256
Creatine riboside,5TBDMS,isomer #3CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N([C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C3085.1Standard non polar33892256
Creatine riboside,5TBDMS,isomer #3CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N([C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C3271.7Standard polar33892256
Creatine riboside,5TBDMS,isomer #4CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N([C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3440.4Semi standard non polar33892256
Creatine riboside,5TBDMS,isomer #4CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N([C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3095.8Standard non polar33892256
Creatine riboside,5TBDMS,isomer #4CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N([C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3287.9Standard polar33892256
Creatine riboside,5TBDMS,isomer #5CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N([C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3424.5Semi standard non polar33892256
Creatine riboside,5TBDMS,isomer #5CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N([C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3109.5Standard non polar33892256
Creatine riboside,5TBDMS,isomer #5CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N([C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3242.5Standard polar33892256
Creatine riboside,5TBDMS,isomer #6CN(CC(=O)O)C(=N[Si](C)(C)C(C)(C)C)N([C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3437.6Semi standard non polar33892256
Creatine riboside,5TBDMS,isomer #6CN(CC(=O)O)C(=N[Si](C)(C)C(C)(C)C)N([C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3075.7Standard non polar33892256
Creatine riboside,5TBDMS,isomer #6CN(CC(=O)O)C(=N[Si](C)(C)C(C)(C)C)N([C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3279.0Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Creatine riboside GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Creatine riboside 10V, Positive-QTOFsplash10-01q9-1950000000-8798d725215a174230422019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Creatine riboside 20V, Positive-QTOFsplash10-0089-7920000000-15d61edf276e253c34e82019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Creatine riboside 40V, Positive-QTOFsplash10-00e9-9700000000-3ecd2b3dba24a5ee80ba2019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Creatine riboside 10V, Negative-QTOFsplash10-01x0-1930000000-58c1687d1526b319e5b82019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Creatine riboside 20V, Negative-QTOFsplash10-008i-9500000000-9b09b5b1d5981573c5032019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Creatine riboside 40V, Negative-QTOFsplash10-01q9-5900000000-92eb5b0dd1d24647bd862019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Creatine riboside 10V, Negative-QTOFsplash10-03dl-5590000000-90fa4e11ad575b3cc7d72021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Creatine riboside 20V, Negative-QTOFsplash10-0019-9700000000-7f56374620b7df675b312021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Creatine riboside 40V, Negative-QTOFsplash10-00dl-9000000000-736ef53aabad7f6870cb2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Creatine riboside 10V, Positive-QTOFsplash10-03di-2490000000-25a3566a0d89b1d66b7b2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Creatine riboside 20V, Positive-QTOFsplash10-01pc-9610000000-d393cdd4de2ca080e1af2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Creatine riboside 40V, Positive-QTOFsplash10-00di-9400000000-8a46004e0f6ec13b5eae2021-09-23Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedAdult (>18 years old)BothAsthma details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Non–small cell lung cancer (NSCLC)
details
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID43055099
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound91885405
PDB IDNot Available
ChEBI IDNot Available
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. Mathe EA, Patterson AD, Haznadar M, Manna SK, Krausz KW, Bowman ED, Shields PG, Idle JR, Smith PB, Anami K, Kazandjian DG, Hatzakis E, Gonzalez FJ, Harris CC: Noninvasive urinary metabolomic profiling identifies diagnostic and prognostic markers in lung cancer. Cancer Res. 2014 Jun 15;74(12):3259-70. doi: 10.1158/0008-5472.CAN-14-0109. Epub 2014 Apr 15. [PubMed:24736543 ]