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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2009-04-06 16:21:57 UTC
Update Date2021-09-14 15:47:27 UTC
HMDB IDHMDB0012262
Secondary Accession Numbers
  • HMDB12262
Metabolite Identification
Common NameMolybdopterin-AMP
DescriptionMolybdopterin-AMP belongs to the class of organic compounds known as molybdopterin dinucleotides. These are a dinucleotide that is made up of a molybdopterin and a purine or pyrimidine base linked to each other through a phosphate chain. Molybdopterin-AMP exists in all living organisms, ranging from bacteria to humans. Molybdopterin-AMP has been detected, but not quantified in, several different foods, such as juniperus communis (Juniperus communis), water spinaches (Ipomoea aquatica), mamey sapotes (Pouteria sapota), pitangas (Eugenia uniflora), and piki bread. This could make molybdopterin-AMP a potential biomarker for the consumption of these foods. Molybdopterin-AMP 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 very few articles have been published on Molybdopterin-AMP.
Structure
Data?1582753035
Synonyms
ValueSource
Adenylated molybdopterinHMDB
Chemical FormulaC20H26N10O12P2S2
Average Molecular Weight724.558
Monoisotopic Molecular Weight724.06483075
IUPAC Name({2-amino-4-oxo-6,7-disulfanyl-3H,4H,5H,5aH,8H,9aH,10H-pyrano[3,2-g]pteridin-8-yl}methoxy)[({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphinic acid
Traditional Name{2-amino-4-oxo-6,7-disulfanyl-3H,5H,5aH,8H,9aH,10H-pyrano[3,2-g]pteridin-8-yl}methoxy({[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy)phosphinic acid
CAS Registry NumberNot Available
SMILES
NC1=NC2=C(NC3C(N2)OC(COP(O)(=O)OP(O)(=O)OCC2OC(C(O)C2O)N2C=NC4=C2N=CN=C4N)C(S)=C3S)C(=O)N1
InChI Identifier
InChI=1S/C20H26N10O12P2S2/c21-14-8-16(24-3-23-14)30(4-25-8)19-11(32)10(31)5(41-19)1-38-43(34,35)42-44(36,37)39-2-6-12(45)13(46)7-18(40-6)27-15-9(26-7)17(33)29-20(22)28-15/h3-7,10-11,18-19,26,31-32,45-46H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H4,22,27,28,29,33)
InChI KeyXJXFAXLUOKQPAQ-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as molybdopterin dinucleotides. These are a dinucleotide that is made up of a molybdopterin and a purine or pyrimidine base linked to each other through a phosphate chain.
KingdomOrganic compounds
Super ClassNucleosides, nucleotides, and analogues
ClassMolybdopterin dinucleotides
Sub ClassNot Available
Direct ParentMolybdopterin dinucleotides
Alternative Parents
Substituents
  • Molybdopterin dinucleotide
  • Purine ribonucleoside diphosphate
  • Molybdopterin
  • Purine ribonucleoside monophosphate
  • Pentose phosphate
  • Pentose-5-phosphate
  • Pyranopterin
  • Pterin
  • Glycosyl compound
  • N-glycosyl compound
  • 6-aminopurine
  • Monosaccharide phosphate
  • Organic pyrophosphate
  • Pentose monosaccharide
  • Pteridine
  • Imidazopyrimidine
  • Purine
  • Secondary aliphatic/aromatic amine
  • Pyrimidone
  • Aminopyrimidine
  • Monoalkyl phosphate
  • Monosaccharide
  • N-substituted imidazole
  • Pyrimidine
  • Pyran
  • Organic phosphoric acid derivative
  • Alkyl phosphate
  • Imidolactam
  • Phosphoric acid ester
  • Tetrahydrofuran
  • Imidazole
  • Azole
  • Heteroaromatic compound
  • Vinylogous amide
  • 1,2-diol
  • Secondary alcohol
  • Azacycle
  • Secondary amine
  • Thioenol
  • Oxacycle
  • Alkylthiol
  • Organoheterocyclic compound
  • Amine
  • Organopnictogen compound
  • Alcohol
  • Organic oxygen compound
  • Organic nitrogen compound
  • Organonitrogen compound
  • Organooxygen compound
  • Organosulfur compound
  • Organic oxide
  • Hydrocarbon derivative
  • Primary amine
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Source
Process
RoleNot Available
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 Solubility2.56 g/LALOGPS
logP-0.36ALOGPS
logP-5.5ChemAxon
logS-2.4ALOGPS
pKa (Strongest Acidic)1.85ChemAxon
pKa (Strongest Basic)4.01ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count17ChemAxon
Hydrogen Donor Count11ChemAxon
Polar Surface Area322.37 ŲChemAxon
Rotatable Bond Count9ChemAxon
Refractivity169.25 m³·mol⁻¹ChemAxon
Polarizability62.78 ųChemAxon
Number of Rings6ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+231.27630932474
DeepCCS[M-H]-229.45130932474
DeepCCS[M-2H]-262.69330932474
DeepCCS[M+Na]+236.88230932474
AllCCS[M+H]+236.632859911
AllCCS[M+H-H2O]+236.232859911
AllCCS[M+NH4]+236.932859911
AllCCS[M+Na]+237.032859911
AllCCS[M-H]-231.032859911
AllCCS[M+Na-2H]-233.532859911
AllCCS[M+HCOO]-236.332859911

Predicted Kovats Retention Indices

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Molybdopterin-AMP,1TMS,isomer #1C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)[NH]C(N)=N4)OC1N1C=NC2=C(N)N=CN=C216730.2Semi standard non polar33892256
Molybdopterin-AMP,1TMS,isomer #1C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)[NH]C(N)=N4)OC1N1C=NC2=C(N)N=CN=C215447.3Standard non polar33892256
Molybdopterin-AMP,1TMS,isomer #1C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)[NH]C(N)=N4)OC1N1C=NC2=C(N)N=CN=C2111271.0Standard polar33892256
Molybdopterin-AMP,1TMS,isomer #10C[Si](C)(C)N1C2=C(NC3C(S)=C(S)C(COP(=O)(O)OP(=O)(O)OCC4OC(N5C=NC6=C(N)N=CN=C65)C(O)C4O)OC31)C(=O)[NH]C(N)=N26460.8Semi standard non polar33892256
Molybdopterin-AMP,1TMS,isomer #10C[Si](C)(C)N1C2=C(NC3C(S)=C(S)C(COP(=O)(O)OP(=O)(O)OCC4OC(N5C=NC6=C(N)N=CN=C65)C(O)C4O)OC31)C(=O)[NH]C(N)=N25474.1Standard non polar33892256
Molybdopterin-AMP,1TMS,isomer #10C[Si](C)(C)N1C2=C(NC3C(S)=C(S)C(COP(=O)(O)OP(=O)(O)OCC4OC(N5C=NC6=C(N)N=CN=C65)C(O)C4O)OC31)C(=O)[NH]C(N)=N211121.0Standard polar33892256
Molybdopterin-AMP,1TMS,isomer #11C[Si](C)(C)N1C(N)=NC2=C(NC3C(S)=C(S)C(COP(=O)(O)OP(=O)(O)OCC4OC(N5C=NC6=C(N)N=CN=C65)C(O)C4O)OC3N2)C1=O6684.6Semi standard non polar33892256
Molybdopterin-AMP,1TMS,isomer #11C[Si](C)(C)N1C(N)=NC2=C(NC3C(S)=C(S)C(COP(=O)(O)OP(=O)(O)OCC4OC(N5C=NC6=C(N)N=CN=C65)C(O)C4O)OC3N2)C1=O5578.1Standard non polar33892256
Molybdopterin-AMP,1TMS,isomer #11C[Si](C)(C)N1C(N)=NC2=C(NC3C(S)=C(S)C(COP(=O)(O)OP(=O)(O)OCC4OC(N5C=NC6=C(N)N=CN=C65)C(O)C4O)OC3N2)C1=O11474.9Standard polar33892256
Molybdopterin-AMP,1TMS,isomer #2C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)[NH]C(N)=N4)OC(N2C=NC3=C(N)N=CN=C32)C1O6734.7Semi standard non polar33892256
Molybdopterin-AMP,1TMS,isomer #2C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)[NH]C(N)=N4)OC(N2C=NC3=C(N)N=CN=C32)C1O5446.8Standard non polar33892256
Molybdopterin-AMP,1TMS,isomer #2C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)[NH]C(N)=N4)OC(N2C=NC3=C(N)N=CN=C32)C1O11268.1Standard polar33892256
Molybdopterin-AMP,1TMS,isomer #3C[Si](C)(C)OP(=O)(OCC1OC2NC3=C(NC2C(S)=C1S)C(=O)[NH]C(N)=N3)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O6755.0Semi standard non polar33892256
Molybdopterin-AMP,1TMS,isomer #3C[Si](C)(C)OP(=O)(OCC1OC2NC3=C(NC2C(S)=C1S)C(=O)[NH]C(N)=N3)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O5597.5Standard non polar33892256
Molybdopterin-AMP,1TMS,isomer #3C[Si](C)(C)OP(=O)(OCC1OC2NC3=C(NC2C(S)=C1S)C(=O)[NH]C(N)=N3)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O11033.2Standard polar33892256
Molybdopterin-AMP,1TMS,isomer #4C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O)OP(=O)(O)OCC1OC2NC3=C(NC2C(S)=C1S)C(=O)[NH]C(N)=N36754.3Semi standard non polar33892256
Molybdopterin-AMP,1TMS,isomer #4C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O)OP(=O)(O)OCC1OC2NC3=C(NC2C(S)=C1S)C(=O)[NH]C(N)=N35605.1Standard non polar33892256
Molybdopterin-AMP,1TMS,isomer #4C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O)OP(=O)(O)OCC1OC2NC3=C(NC2C(S)=C1S)C(=O)[NH]C(N)=N311027.3Standard polar33892256
Molybdopterin-AMP,1TMS,isomer #5C[Si](C)(C)SC1=C(S)C2NC3=C(N=C(N)[NH]C3=O)NC2OC1COP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O6658.4Semi standard non polar33892256
Molybdopterin-AMP,1TMS,isomer #5C[Si](C)(C)SC1=C(S)C2NC3=C(N=C(N)[NH]C3=O)NC2OC1COP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O5530.1Standard non polar33892256
Molybdopterin-AMP,1TMS,isomer #5C[Si](C)(C)SC1=C(S)C2NC3=C(N=C(N)[NH]C3=O)NC2OC1COP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O11707.8Standard polar33892256
Molybdopterin-AMP,1TMS,isomer #6C[Si](C)(C)SC1=C(S)C(COP(=O)(O)OP(=O)(O)OCC2OC(N3C=NC4=C(N)N=CN=C43)C(O)C2O)OC2NC3=C(NC12)C(=O)[NH]C(N)=N36652.4Semi standard non polar33892256
Molybdopterin-AMP,1TMS,isomer #6C[Si](C)(C)SC1=C(S)C(COP(=O)(O)OP(=O)(O)OCC2OC(N3C=NC4=C(N)N=CN=C43)C(O)C2O)OC2NC3=C(NC12)C(=O)[NH]C(N)=N35506.6Standard non polar33892256
Molybdopterin-AMP,1TMS,isomer #6C[Si](C)(C)SC1=C(S)C(COP(=O)(O)OP(=O)(O)OCC2OC(N3C=NC4=C(N)N=CN=C43)C(O)C2O)OC2NC3=C(NC12)C(=O)[NH]C(N)=N311625.7Standard polar33892256
Molybdopterin-AMP,1TMS,isomer #7C[Si](C)(C)NC1=NC2=C(NC3C(S)=C(S)C(COP(=O)(O)OP(=O)(O)OCC4OC(N5C=NC6=C(N)N=CN=C65)C(O)C4O)OC3N2)C(=O)[NH]16762.1Semi standard non polar33892256
Molybdopterin-AMP,1TMS,isomer #7C[Si](C)(C)NC1=NC2=C(NC3C(S)=C(S)C(COP(=O)(O)OP(=O)(O)OCC4OC(N5C=NC6=C(N)N=CN=C65)C(O)C4O)OC3N2)C(=O)[NH]15528.9Standard non polar33892256
Molybdopterin-AMP,1TMS,isomer #7C[Si](C)(C)NC1=NC2=C(NC3C(S)=C(S)C(COP(=O)(O)OP(=O)(O)OCC4OC(N5C=NC6=C(N)N=CN=C65)C(O)C4O)OC3N2)C(=O)[NH]111412.5Standard polar33892256
Molybdopterin-AMP,1TMS,isomer #8C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)[NH]C(N)=N4)C(O)C1O6764.4Semi standard non polar33892256
Molybdopterin-AMP,1TMS,isomer #8C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)[NH]C(N)=N4)C(O)C1O5483.5Standard non polar33892256
Molybdopterin-AMP,1TMS,isomer #8C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)[NH]C(N)=N4)C(O)C1O11165.1Standard polar33892256
Molybdopterin-AMP,1TMS,isomer #9C[Si](C)(C)N1C2=C(N=C(N)[NH]C2=O)NC2OC(COP(=O)(O)OP(=O)(O)OCC3OC(N4C=NC5=C(N)N=CN=C54)C(O)C3O)C(S)=C(S)C216521.1Semi standard non polar33892256
Molybdopterin-AMP,1TMS,isomer #9C[Si](C)(C)N1C2=C(N=C(N)[NH]C2=O)NC2OC(COP(=O)(O)OP(=O)(O)OCC3OC(N4C=NC5=C(N)N=CN=C54)C(O)C3O)C(S)=C(S)C215457.0Standard non polar33892256
Molybdopterin-AMP,1TMS,isomer #9C[Si](C)(C)N1C2=C(N=C(N)[NH]C2=O)NC2OC(COP(=O)(O)OP(=O)(O)OCC3OC(N4C=NC5=C(N)N=CN=C54)C(O)C3O)C(S)=C(S)C2111107.1Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #1C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)[NH]C(N)=N4)OC(N2C=NC3=C(N)N=CN=C32)C1O[Si](C)(C)C6586.3Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #1C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)[NH]C(N)=N4)OC(N2C=NC3=C(N)N=CN=C32)C1O[Si](C)(C)C5447.1Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #1C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)[NH]C(N)=N4)OC(N2C=NC3=C(N)N=CN=C32)C1O[Si](C)(C)C10577.7Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #10C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(C(=O)[NH]C(N)=N4)N([Si](C)(C)C)C3C(S)=C2S)OC1N1C=NC2=C(N)N=CN=C216384.6Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #10C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(C(=O)[NH]C(N)=N4)N([Si](C)(C)C)C3C(S)=C2S)OC1N1C=NC2=C(N)N=CN=C215427.7Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #10C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(C(=O)[NH]C(N)=N4)N([Si](C)(C)C)C3C(S)=C2S)OC1N1C=NC2=C(N)N=CN=C2110398.3Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #11C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)[NH]C(N)=N4)OC(N2C=NC3=C(N)N=CN=C32)C1O6622.6Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #11C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)[NH]C(N)=N4)OC(N2C=NC3=C(N)N=CN=C32)C1O5559.3Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #11C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)[NH]C(N)=N4)OC(N2C=NC3=C(N)N=CN=C32)C1O10376.1Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #12C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)[NH]C(N)=N4)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O6622.2Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #12C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)[NH]C(N)=N4)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O5551.7Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #12C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)[NH]C(N)=N4)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O10378.4Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #13C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S[Si](C)(C)C)=C2S)C(=O)[NH]C(N)=N4)OC(N2C=NC3=C(N)N=CN=C32)C1O6507.0Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #13C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S[Si](C)(C)C)=C2S)C(=O)[NH]C(N)=N4)OC(N2C=NC3=C(N)N=CN=C32)C1O5486.3Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #13C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S[Si](C)(C)C)=C2S)C(=O)[NH]C(N)=N4)OC(N2C=NC3=C(N)N=CN=C32)C1O10925.6Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #14C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S[Si](C)(C)C)C(=O)[NH]C(N)=N4)OC(N2C=NC3=C(N)N=CN=C32)C1O6506.2Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #14C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S[Si](C)(C)C)C(=O)[NH]C(N)=N4)OC(N2C=NC3=C(N)N=CN=C32)C1O5484.4Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #14C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S[Si](C)(C)C)C(=O)[NH]C(N)=N4)OC(N2C=NC3=C(N)N=CN=C32)C1O10992.3Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #15C[Si](C)(C)NC1=NC2=C(NC3C(S)=C(S)C(COP(=O)(O)OP(=O)(O)OCC4OC(N5C=NC6=C(N)N=CN=C65)C(O)C4O[Si](C)(C)C)OC3N2)C(=O)[NH]16615.2Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #15C[Si](C)(C)NC1=NC2=C(NC3C(S)=C(S)C(COP(=O)(O)OP(=O)(O)OCC4OC(N5C=NC6=C(N)N=CN=C65)C(O)C4O[Si](C)(C)C)OC3N2)C(=O)[NH]15512.8Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #15C[Si](C)(C)NC1=NC2=C(NC3C(S)=C(S)C(COP(=O)(O)OP(=O)(O)OCC4OC(N5C=NC6=C(N)N=CN=C65)C(O)C4O[Si](C)(C)C)OC3N2)C(=O)[NH]110732.3Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #16C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)[NH]C(N)=N4)C(O[Si](C)(C)C)C1O6600.6Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #16C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)[NH]C(N)=N4)C(O[Si](C)(C)C)C1O5483.9Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #16C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)[NH]C(N)=N4)C(O[Si](C)(C)C)C1O10457.6Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #17C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OCC2OC3C(NC4=C(N=C(N)[NH]C4=O)N3[Si](C)(C)C)C(S)=C2S)OC(N2C=NC3=C(N)N=CN=C32)C1O6353.0Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #17C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OCC2OC3C(NC4=C(N=C(N)[NH]C4=O)N3[Si](C)(C)C)C(S)=C2S)OC(N2C=NC3=C(N)N=CN=C32)C1O5473.0Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #17C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OCC2OC3C(NC4=C(N=C(N)[NH]C4=O)N3[Si](C)(C)C)C(S)=C2S)OC(N2C=NC3=C(N)N=CN=C32)C1O10475.7Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #18C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)N([Si](C)(C)C)C(N)=N4)OC(N2C=NC3=C(N)N=CN=C32)C1O6543.4Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #18C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)N([Si](C)(C)C)C(N)=N4)OC(N2C=NC3=C(N)N=CN=C32)C1O5534.9Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #18C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)N([Si](C)(C)C)C(N)=N4)OC(N2C=NC3=C(N)N=CN=C32)C1O10798.7Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #19C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(C(=O)[NH]C(N)=N4)N([Si](C)(C)C)C3C(S)=C2S)OC(N2C=NC3=C(N)N=CN=C32)C1O6397.9Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #19C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(C(=O)[NH]C(N)=N4)N([Si](C)(C)C)C3C(S)=C2S)OC(N2C=NC3=C(N)N=CN=C32)C1O5421.6Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #19C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(C(=O)[NH]C(N)=N4)N([Si](C)(C)C)C3C(S)=C2S)OC(N2C=NC3=C(N)N=CN=C32)C1O10394.1Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #2C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)[NH]C(N)=N4)OC1N1C=NC2=C(N)N=CN=C216611.5Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #2C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)[NH]C(N)=N4)OC1N1C=NC2=C(N)N=CN=C215562.0Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #2C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)[NH]C(N)=N4)OC1N1C=NC2=C(N)N=CN=C2110379.2Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #20C[Si](C)(C)OP(=O)(OCC1OC2NC3=C(NC2C(S)=C1S)C(=O)[NH]C(N)=N3)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O)O[Si](C)(C)C6614.0Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #20C[Si](C)(C)OP(=O)(OCC1OC2NC3=C(NC2C(S)=C1S)C(=O)[NH]C(N)=N3)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O)O[Si](C)(C)C5689.9Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #20C[Si](C)(C)OP(=O)(OCC1OC2NC3=C(NC2C(S)=C1S)C(=O)[NH]C(N)=N3)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O)O[Si](C)(C)C10208.9Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #21C[Si](C)(C)OP(=O)(OCC1OC2NC3=C(NC2C(S[Si](C)(C)C)=C1S)C(=O)[NH]C(N)=N3)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O6535.4Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #21C[Si](C)(C)OP(=O)(OCC1OC2NC3=C(NC2C(S[Si](C)(C)C)=C1S)C(=O)[NH]C(N)=N3)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O5624.9Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #21C[Si](C)(C)OP(=O)(OCC1OC2NC3=C(NC2C(S[Si](C)(C)C)=C1S)C(=O)[NH]C(N)=N3)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O10700.8Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #22C[Si](C)(C)OP(=O)(OCC1OC2NC3=C(NC2C(S)=C1S[Si](C)(C)C)C(=O)[NH]C(N)=N3)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O6532.4Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #22C[Si](C)(C)OP(=O)(OCC1OC2NC3=C(NC2C(S)=C1S[Si](C)(C)C)C(=O)[NH]C(N)=N3)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O5618.7Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #22C[Si](C)(C)OP(=O)(OCC1OC2NC3=C(NC2C(S)=C1S[Si](C)(C)C)C(=O)[NH]C(N)=N3)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O10761.2Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #23C[Si](C)(C)NC1=NC2=C(NC3C(S)=C(S)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC4OC(N5C=NC6=C(N)N=CN=C65)C(O)C4O)OC3N2)C(=O)[NH]16642.5Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #23C[Si](C)(C)NC1=NC2=C(NC3C(S)=C(S)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC4OC(N5C=NC6=C(N)N=CN=C65)C(O)C4O)OC3N2)C(=O)[NH]15637.7Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #23C[Si](C)(C)NC1=NC2=C(NC3C(S)=C(S)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC4OC(N5C=NC6=C(N)N=CN=C65)C(O)C4O)OC3N2)C(=O)[NH]110516.5Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #24C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)[NH]C(N)=N4)O[Si](C)(C)C)C(O)C1O6629.6Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #24C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)[NH]C(N)=N4)O[Si](C)(C)C)C(O)C1O5606.1Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #24C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)[NH]C(N)=N4)O[Si](C)(C)C)C(O)C1O10239.1Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #25C[Si](C)(C)OP(=O)(OCC1OC2C(NC3=C(N=C(N)[NH]C3=O)N2[Si](C)(C)C)C(S)=C1S)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O6361.8Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #25C[Si](C)(C)OP(=O)(OCC1OC2C(NC3=C(N=C(N)[NH]C3=O)N2[Si](C)(C)C)C(S)=C1S)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O5586.1Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #25C[Si](C)(C)OP(=O)(OCC1OC2C(NC3=C(N=C(N)[NH]C3=O)N2[Si](C)(C)C)C(S)=C1S)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O10296.7Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #26C[Si](C)(C)OP(=O)(OCC1OC2NC3=C(NC2C(S)=C1S)C(=O)N([Si](C)(C)C)C(N)=N3)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O6575.1Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #26C[Si](C)(C)OP(=O)(OCC1OC2NC3=C(NC2C(S)=C1S)C(=O)N([Si](C)(C)C)C(N)=N3)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O5656.0Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #26C[Si](C)(C)OP(=O)(OCC1OC2NC3=C(NC2C(S)=C1S)C(=O)N([Si](C)(C)C)C(N)=N3)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O10607.2Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #27C[Si](C)(C)OP(=O)(OCC1OC2NC3=C(C(=O)[NH]C(N)=N3)N([Si](C)(C)C)C2C(S)=C1S)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O6417.0Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #27C[Si](C)(C)OP(=O)(OCC1OC2NC3=C(C(=O)[NH]C(N)=N3)N([Si](C)(C)C)C2C(S)=C1S)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O5537.6Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #27C[Si](C)(C)OP(=O)(OCC1OC2NC3=C(C(=O)[NH]C(N)=N3)N([Si](C)(C)C)C2C(S)=C1S)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O10200.6Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #28C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O)OP(=O)(O)OCC1OC2NC3=C(NC2C(S[Si](C)(C)C)=C1S)C(=O)[NH]C(N)=N36535.5Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #28C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O)OP(=O)(O)OCC1OC2NC3=C(NC2C(S[Si](C)(C)C)=C1S)C(=O)[NH]C(N)=N35623.5Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #28C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O)OP(=O)(O)OCC1OC2NC3=C(NC2C(S[Si](C)(C)C)=C1S)C(=O)[NH]C(N)=N310698.8Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #29C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O)OP(=O)(O)OCC1OC2NC3=C(NC2C(S)=C1S[Si](C)(C)C)C(=O)[NH]C(N)=N36531.0Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #29C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O)OP(=O)(O)OCC1OC2NC3=C(NC2C(S)=C1S[Si](C)(C)C)C(=O)[NH]C(N)=N35631.4Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #29C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O)OP(=O)(O)OCC1OC2NC3=C(NC2C(S)=C1S[Si](C)(C)C)C(=O)[NH]C(N)=N310759.2Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #3C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)[NH]C(N)=N4)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=CN=C216612.8Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #3C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)[NH]C(N)=N4)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=CN=C215554.7Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #3C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)[NH]C(N)=N4)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=CN=C2110382.1Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #30C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)[NH]C(N)=N4)C(O)C1O6629.9Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #30C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)[NH]C(N)=N4)C(O)C1O5617.4Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #30C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)[NH]C(N)=N4)C(O)C1O10235.8Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #31C[Si](C)(C)NC1=NC2=C(NC3C(S)=C(S)C(COP(=O)(O)OP(=O)(OCC4OC(N5C=NC6=C(N)N=CN=C65)C(O)C4O)O[Si](C)(C)C)OC3N2)C(=O)[NH]16642.6Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #31C[Si](C)(C)NC1=NC2=C(NC3C(S)=C(S)C(COP(=O)(O)OP(=O)(OCC4OC(N5C=NC6=C(N)N=CN=C65)C(O)C4O)O[Si](C)(C)C)OC3N2)C(=O)[NH]15647.2Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #31C[Si](C)(C)NC1=NC2=C(NC3C(S)=C(S)C(COP(=O)(O)OP(=O)(OCC4OC(N5C=NC6=C(N)N=CN=C65)C(O)C4O)O[Si](C)(C)C)OC3N2)C(=O)[NH]110513.0Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #32C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O)OP(=O)(O)OCC1OC2C(NC3=C(N=C(N)[NH]C3=O)N2[Si](C)(C)C)C(S)=C1S6361.2Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #32C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O)OP(=O)(O)OCC1OC2C(NC3=C(N=C(N)[NH]C3=O)N2[Si](C)(C)C)C(S)=C1S5598.4Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #32C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O)OP(=O)(O)OCC1OC2C(NC3=C(N=C(N)[NH]C3=O)N2[Si](C)(C)C)C(S)=C1S10293.8Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #33C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O)OP(=O)(O)OCC1OC2NC3=C(NC2C(S)=C1S)C(=O)N([Si](C)(C)C)C(N)=N36575.4Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #33C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O)OP(=O)(O)OCC1OC2NC3=C(NC2C(S)=C1S)C(=O)N([Si](C)(C)C)C(N)=N35665.4Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #33C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O)OP(=O)(O)OCC1OC2NC3=C(NC2C(S)=C1S)C(=O)N([Si](C)(C)C)C(N)=N310604.2Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #34C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O)OP(=O)(O)OCC1OC2NC3=C(C(=O)[NH]C(N)=N3)N([Si](C)(C)C)C2C(S)=C1S6415.2Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #34C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O)OP(=O)(O)OCC1OC2NC3=C(C(=O)[NH]C(N)=N3)N([Si](C)(C)C)C2C(S)=C1S5544.4Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #34C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O)OP(=O)(O)OCC1OC2NC3=C(C(=O)[NH]C(N)=N3)N([Si](C)(C)C)C2C(S)=C1S10197.6Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #35C[Si](C)(C)SC1=C(S[Si](C)(C)C)C2NC3=C(N=C(N)[NH]C3=O)NC2OC1COP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O6454.7Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #35C[Si](C)(C)SC1=C(S[Si](C)(C)C)C2NC3=C(N=C(N)[NH]C3=O)NC2OC1COP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O5546.8Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #35C[Si](C)(C)SC1=C(S[Si](C)(C)C)C2NC3=C(N=C(N)[NH]C3=O)NC2OC1COP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O11702.7Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #36C[Si](C)(C)NC1=NC2=C(NC3C(S)=C(S[Si](C)(C)C)C(COP(=O)(O)OP(=O)(O)OCC4OC(N5C=NC6=C(N)N=CN=C65)C(O)C4O)OC3N2)C(=O)[NH]16539.2Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #36C[Si](C)(C)NC1=NC2=C(NC3C(S)=C(S[Si](C)(C)C)C(COP(=O)(O)OP(=O)(O)OCC4OC(N5C=NC6=C(N)N=CN=C65)C(O)C4O)OC3N2)C(=O)[NH]15574.7Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #36C[Si](C)(C)NC1=NC2=C(NC3C(S)=C(S[Si](C)(C)C)C(COP(=O)(O)OP(=O)(O)OCC4OC(N5C=NC6=C(N)N=CN=C65)C(O)C4O)OC3N2)C(=O)[NH]111182.4Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #37C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S[Si](C)(C)C)C(=O)[NH]C(N)=N4)C(O)C1O6529.3Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #37C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S[Si](C)(C)C)C(=O)[NH]C(N)=N4)C(O)C1O5549.7Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #37C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S[Si](C)(C)C)C(=O)[NH]C(N)=N4)C(O)C1O10866.4Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #38C[Si](C)(C)SC1=C(S)C2C(NC3=C(C(=O)[NH]C(N)=N3)N2[Si](C)(C)C)OC1COP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O6385.5Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #38C[Si](C)(C)SC1=C(S)C2C(NC3=C(C(=O)[NH]C(N)=N3)N2[Si](C)(C)C)OC1COP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O5452.6Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #38C[Si](C)(C)SC1=C(S)C2C(NC3=C(C(=O)[NH]C(N)=N3)N2[Si](C)(C)C)OC1COP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O10766.1Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #39C[Si](C)(C)SC1=C(S)C2NC3=C(N=C(N)N([Si](C)(C)C)C3=O)NC2OC1COP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O6485.5Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #39C[Si](C)(C)SC1=C(S)C2NC3=C(N=C(N)N([Si](C)(C)C)C3=O)NC2OC1COP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O5607.8Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #39C[Si](C)(C)SC1=C(S)C2NC3=C(N=C(N)N([Si](C)(C)C)C3=O)NC2OC1COP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O11215.8Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #4C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S[Si](C)(C)C)=C2S)C(=O)[NH]C(N)=N4)OC1N1C=NC2=C(N)N=CN=C216496.7Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #4C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S[Si](C)(C)C)=C2S)C(=O)[NH]C(N)=N4)OC1N1C=NC2=C(N)N=CN=C215490.0Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #4C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S[Si](C)(C)C)=C2S)C(=O)[NH]C(N)=N4)OC1N1C=NC2=C(N)N=CN=C2110931.2Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #40C[Si](C)(C)SC1=C(S)C2NC3=C(N=C(N)[NH]C3=O)N([Si](C)(C)C)C2OC1COP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O6350.6Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #40C[Si](C)(C)SC1=C(S)C2NC3=C(N=C(N)[NH]C3=O)N([Si](C)(C)C)C2OC1COP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O5521.9Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #40C[Si](C)(C)SC1=C(S)C2NC3=C(N=C(N)[NH]C3=O)N([Si](C)(C)C)C2OC1COP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O10892.6Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #41C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S[Si](C)(C)C)=C2S)C(=O)[NH]C(N)=N4)C(O)C1O6531.7Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #41C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S[Si](C)(C)C)=C2S)C(=O)[NH]C(N)=N4)C(O)C1O5540.6Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #41C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S[Si](C)(C)C)=C2S)C(=O)[NH]C(N)=N4)C(O)C1O10794.8Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #42C[Si](C)(C)NC1=NC2=C(NC3C(S[Si](C)(C)C)=C(S)C(COP(=O)(O)OP(=O)(O)OCC4OC(N5C=NC6=C(N)N=CN=C65)C(O)C4O)OC3N2)C(=O)[NH]16542.7Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #42C[Si](C)(C)NC1=NC2=C(NC3C(S[Si](C)(C)C)=C(S)C(COP(=O)(O)OP(=O)(O)OCC4OC(N5C=NC6=C(N)N=CN=C65)C(O)C4O)OC3N2)C(=O)[NH]15569.4Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #42C[Si](C)(C)NC1=NC2=C(NC3C(S[Si](C)(C)C)=C(S)C(COP(=O)(O)OP(=O)(O)OCC4OC(N5C=NC6=C(N)N=CN=C65)C(O)C4O)OC3N2)C(=O)[NH]111132.0Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #43C[Si](C)(C)SC1=C(S)C(COP(=O)(O)OP(=O)(O)OCC2OC(N3C=NC4=C(N)N=CN=C43)C(O)C2O)OC2C1NC1=C(N=C(N)[NH]C1=O)N2[Si](C)(C)C6328.4Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #43C[Si](C)(C)SC1=C(S)C(COP(=O)(O)OP(=O)(O)OCC2OC(N3C=NC4=C(N)N=CN=C43)C(O)C2O)OC2C1NC1=C(N=C(N)[NH]C1=O)N2[Si](C)(C)C5472.7Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #43C[Si](C)(C)SC1=C(S)C(COP(=O)(O)OP(=O)(O)OCC2OC(N3C=NC4=C(N)N=CN=C43)C(O)C2O)OC2C1NC1=C(N=C(N)[NH]C1=O)N2[Si](C)(C)C10820.5Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #44C[Si](C)(C)SC1=C(S)C(COP(=O)(O)OP(=O)(O)OCC2OC(N3C=NC4=C(N)N=CN=C43)C(O)C2O)OC2NC3=C(NC12)C(=O)N([Si](C)(C)C)C(N)=N36488.2Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #44C[Si](C)(C)SC1=C(S)C(COP(=O)(O)OP(=O)(O)OCC2OC(N3C=NC4=C(N)N=CN=C43)C(O)C2O)OC2NC3=C(NC12)C(=O)N([Si](C)(C)C)C(N)=N35592.8Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #44C[Si](C)(C)SC1=C(S)C(COP(=O)(O)OP(=O)(O)OCC2OC(N3C=NC4=C(N)N=CN=C43)C(O)C2O)OC2NC3=C(NC12)C(=O)N([Si](C)(C)C)C(N)=N311146.1Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #45C[Si](C)(C)SC1=C(S)C(COP(=O)(O)OP(=O)(O)OCC2OC(N3C=NC4=C(N)N=CN=C43)C(O)C2O)OC2NC3=C(C(=O)[NH]C(N)=N3)N([Si](C)(C)C)C126401.2Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #45C[Si](C)(C)SC1=C(S)C(COP(=O)(O)OP(=O)(O)OCC2OC(N3C=NC4=C(N)N=CN=C43)C(O)C2O)OC2NC3=C(C(=O)[NH]C(N)=N3)N([Si](C)(C)C)C125472.1Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #45C[Si](C)(C)SC1=C(S)C(COP(=O)(O)OP(=O)(O)OCC2OC(N3C=NC4=C(N)N=CN=C43)C(O)C2O)OC2NC3=C(C(=O)[NH]C(N)=N3)N([Si](C)(C)C)C1210779.2Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #46C[Si](C)(C)NC1=NC2=C(NC3C(S)=C(S)C(COP(=O)(O)OP(=O)(O)OCC4OC(N5C=NC6=C(N[Si](C)(C)C)N=CN=C65)C(O)C4O)OC3N2)C(=O)[NH]16625.0Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #46C[Si](C)(C)NC1=NC2=C(NC3C(S)=C(S)C(COP(=O)(O)OP(=O)(O)OCC4OC(N5C=NC6=C(N[Si](C)(C)C)N=CN=C65)C(O)C4O)OC3N2)C(=O)[NH]15544.5Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #46C[Si](C)(C)NC1=NC2=C(NC3C(S)=C(S)C(COP(=O)(O)OP(=O)(O)OCC4OC(N5C=NC6=C(N[Si](C)(C)C)N=CN=C65)C(O)C4O)OC3N2)C(=O)[NH]110646.9Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #47C[Si](C)(C)N(C1=NC2=C(NC3C(S)=C(S)C(COP(=O)(O)OP(=O)(O)OCC4OC(N5C=NC6=C(N)N=CN=C65)C(O)C4O)OC3N2)C(=O)[NH]1)[Si](C)(C)C6586.9Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #47C[Si](C)(C)N(C1=NC2=C(NC3C(S)=C(S)C(COP(=O)(O)OP(=O)(O)OCC4OC(N5C=NC6=C(N)N=CN=C65)C(O)C4O)OC3N2)C(=O)[NH]1)[Si](C)(C)C5673.7Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #47C[Si](C)(C)N(C1=NC2=C(NC3C(S)=C(S)C(COP(=O)(O)OP(=O)(O)OCC4OC(N5C=NC6=C(N)N=CN=C65)C(O)C4O)OC3N2)C(=O)[NH]1)[Si](C)(C)C10827.3Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #48C[Si](C)(C)NC1=NC2=C(NC3C(S)=C(S)C(COP(=O)(O)OP(=O)(O)OCC4OC(N5C=NC6=C(N)N=CN=C65)C(O)C4O)OC3N2)C(=O)N1[Si](C)(C)C6632.4Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #48C[Si](C)(C)NC1=NC2=C(NC3C(S)=C(S)C(COP(=O)(O)OP(=O)(O)OCC4OC(N5C=NC6=C(N)N=CN=C65)C(O)C4O)OC3N2)C(=O)N1[Si](C)(C)C5609.7Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #48C[Si](C)(C)NC1=NC2=C(NC3C(S)=C(S)C(COP(=O)(O)OP(=O)(O)OCC4OC(N5C=NC6=C(N)N=CN=C65)C(O)C4O)OC3N2)C(=O)N1[Si](C)(C)C10819.7Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #49C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C)C1C(S)=C(S)C(COP(=O)(O)OP(=O)(O)OCC3OC(N4C=NC5=C(N)N=CN=C54)C(O)C3O)OC1N26466.2Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #49C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C)C1C(S)=C(S)C(COP(=O)(O)OP(=O)(O)OCC3OC(N4C=NC5=C(N)N=CN=C54)C(O)C3O)OC1N25507.3Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #49C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C)C1C(S)=C(S)C(COP(=O)(O)OP(=O)(O)OCC3OC(N4C=NC5=C(N)N=CN=C54)C(O)C3O)OC1N210404.6Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #5C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S[Si](C)(C)C)C(=O)[NH]C(N)=N4)OC1N1C=NC2=C(N)N=CN=C216496.1Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #5C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S[Si](C)(C)C)C(=O)[NH]C(N)=N4)OC1N1C=NC2=C(N)N=CN=C215486.2Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #5C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S[Si](C)(C)C)C(=O)[NH]C(N)=N4)OC1N1C=NC2=C(N)N=CN=C2110997.8Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #50C[Si](C)(C)NC1=NC2=C(NC3C(S)=C(S)C(COP(=O)(O)OP(=O)(O)OCC4OC(N5C=NC6=C(N)N=CN=C65)C(O)C4O)OC3N2[Si](C)(C)C)C(=O)[NH]16412.0Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #50C[Si](C)(C)NC1=NC2=C(NC3C(S)=C(S)C(COP(=O)(O)OP(=O)(O)OCC4OC(N5C=NC6=C(N)N=CN=C65)C(O)C4O)OC3N2[Si](C)(C)C)C(=O)[NH]15542.2Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #50C[Si](C)(C)NC1=NC2=C(NC3C(S)=C(S)C(COP(=O)(O)OP(=O)(O)OCC4OC(N5C=NC6=C(N)N=CN=C65)C(O)C4O)OC3N2[Si](C)(C)C)C(=O)[NH]110573.7Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #51C[Si](C)(C)N(C1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)[NH]C(N)=N4)C(O)C1O)[Si](C)(C)C6587.0Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #51C[Si](C)(C)N(C1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)[NH]C(N)=N4)C(O)C1O)[Si](C)(C)C5631.1Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #51C[Si](C)(C)N(C1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)[NH]C(N)=N4)C(O)C1O)[Si](C)(C)C10527.0Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #52C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(NC4=C(N=C(N)[NH]C4=O)N3[Si](C)(C)C)C(S)=C2S)C(O)C1O6368.1Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #52C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(NC4=C(N=C(N)[NH]C4=O)N3[Si](C)(C)C)C(S)=C2S)C(O)C1O5516.6Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #52C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(NC4=C(N=C(N)[NH]C4=O)N3[Si](C)(C)C)C(S)=C2S)C(O)C1O10346.4Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #53C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)N([Si](C)(C)C)C(N)=N4)C(O)C1O6541.4Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #53C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)N([Si](C)(C)C)C(N)=N4)C(O)C1O5585.0Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #53C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)N([Si](C)(C)C)C(N)=N4)C(O)C1O10692.9Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #54C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(C(=O)[NH]C(N)=N4)N([Si](C)(C)C)C3C(S)=C2S)C(O)C1O6426.3Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #54C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(C(=O)[NH]C(N)=N4)N([Si](C)(C)C)C3C(S)=C2S)C(O)C1O5475.0Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #54C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(C(=O)[NH]C(N)=N4)N([Si](C)(C)C)C3C(S)=C2S)C(O)C1O10263.1Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #55C[Si](C)(C)N1C2=C(N=C(N)N([Si](C)(C)C)C2=O)NC2OC(COP(=O)(O)OP(=O)(O)OCC3OC(N4C=NC5=C(N)N=CN=C54)C(O)C3O)C(S)=C(S)C216416.3Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #55C[Si](C)(C)N1C2=C(N=C(N)N([Si](C)(C)C)C2=O)NC2OC(COP(=O)(O)OP(=O)(O)OCC3OC(N4C=NC5=C(N)N=CN=C54)C(O)C3O)C(S)=C(S)C215561.8Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #55C[Si](C)(C)N1C2=C(N=C(N)N([Si](C)(C)C)C2=O)NC2OC(COP(=O)(O)OP(=O)(O)OCC3OC(N4C=NC5=C(N)N=CN=C54)C(O)C3O)C(S)=C(S)C2110656.7Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #56C[Si](C)(C)N1C2=C(C(=O)[NH]C(N)=N2)N([Si](C)(C)C)C2C(S)=C(S)C(COP(=O)(O)OP(=O)(O)OCC3OC(N4C=NC5=C(N)N=CN=C54)C(O)C3O)OC216260.7Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #56C[Si](C)(C)N1C2=C(C(=O)[NH]C(N)=N2)N([Si](C)(C)C)C2C(S)=C(S)C(COP(=O)(O)OP(=O)(O)OCC3OC(N4C=NC5=C(N)N=CN=C54)C(O)C3O)OC215457.2Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #56C[Si](C)(C)N1C2=C(C(=O)[NH]C(N)=N2)N([Si](C)(C)C)C2C(S)=C(S)C(COP(=O)(O)OP(=O)(O)OCC3OC(N4C=NC5=C(N)N=CN=C54)C(O)C3O)OC2110310.4Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #57C[Si](C)(C)N1C2=C(NC3C(S)=C(S)C(COP(=O)(O)OP(=O)(O)OCC4OC(N5C=NC6=C(N)N=CN=C65)C(O)C4O)OC31)C(=O)N([Si](C)(C)C)C(N)=N26396.9Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #57C[Si](C)(C)N1C2=C(NC3C(S)=C(S)C(COP(=O)(O)OP(=O)(O)OCC4OC(N5C=NC6=C(N)N=CN=C65)C(O)C4O)OC31)C(=O)N([Si](C)(C)C)C(N)=N25562.2Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #57C[Si](C)(C)N1C2=C(NC3C(S)=C(S)C(COP(=O)(O)OP(=O)(O)OCC4OC(N5C=NC6=C(N)N=CN=C65)C(O)C4O)OC31)C(=O)N([Si](C)(C)C)C(N)=N210715.2Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #6C[Si](C)(C)NC1=NC2=C(NC3C(S)=C(S)C(COP(=O)(O)OP(=O)(O)OCC4OC(N5C=NC6=C(N)N=CN=C65)C(O[Si](C)(C)C)C4O)OC3N2)C(=O)[NH]16608.0Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #6C[Si](C)(C)NC1=NC2=C(NC3C(S)=C(S)C(COP(=O)(O)OP(=O)(O)OCC4OC(N5C=NC6=C(N)N=CN=C65)C(O[Si](C)(C)C)C4O)OC3N2)C(=O)[NH]15513.1Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #6C[Si](C)(C)NC1=NC2=C(NC3C(S)=C(S)C(COP(=O)(O)OP(=O)(O)OCC4OC(N5C=NC6=C(N)N=CN=C65)C(O[Si](C)(C)C)C4O)OC3N2)C(=O)[NH]110735.3Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #7C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)[NH]C(N)=N4)C(O)C1O[Si](C)(C)C6593.5Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #7C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)[NH]C(N)=N4)C(O)C1O[Si](C)(C)C5485.4Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #7C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)[NH]C(N)=N4)C(O)C1O[Si](C)(C)C10460.9Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #8C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O)OCC2OC3C(NC4=C(N=C(N)[NH]C4=O)N3[Si](C)(C)C)C(S)=C2S)OC1N1C=NC2=C(N)N=CN=C216341.2Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #8C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O)OCC2OC3C(NC4=C(N=C(N)[NH]C4=O)N3[Si](C)(C)C)C(S)=C2S)OC1N1C=NC2=C(N)N=CN=C215476.4Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #8C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O)OCC2OC3C(NC4=C(N=C(N)[NH]C4=O)N3[Si](C)(C)C)C(S)=C2S)OC1N1C=NC2=C(N)N=CN=C2110479.9Standard polar33892256
Molybdopterin-AMP,2TMS,isomer #9C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)N([Si](C)(C)C)C(N)=N4)OC1N1C=NC2=C(N)N=CN=C216534.5Semi standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #9C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)N([Si](C)(C)C)C(N)=N4)OC1N1C=NC2=C(N)N=CN=C215541.0Standard non polar33892256
Molybdopterin-AMP,2TMS,isomer #9C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)N([Si](C)(C)C)C(N)=N4)OC1N1C=NC2=C(N)N=CN=C2110802.6Standard polar33892256
Molybdopterin-AMP,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)[NH]C(N)=N4)OC1N1C=NC2=C(N)N=CN=C216964.7Semi standard non polar33892256
Molybdopterin-AMP,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)[NH]C(N)=N4)OC1N1C=NC2=C(N)N=CN=C215661.5Standard non polar33892256
Molybdopterin-AMP,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)[NH]C(N)=N4)OC1N1C=NC2=C(N)N=CN=C2111026.4Standard polar33892256
Molybdopterin-AMP,1TBDMS,isomer #10CC(C)(C)[Si](C)(C)N1C2=C(NC3C(S)=C(S)C(COP(=O)(O)OP(=O)(O)OCC4OC(N5C=NC6=C(N)N=CN=C65)C(O)C4O)OC31)C(=O)[NH]C(N)=N26684.8Semi standard non polar33892256
Molybdopterin-AMP,1TBDMS,isomer #10CC(C)(C)[Si](C)(C)N1C2=C(NC3C(S)=C(S)C(COP(=O)(O)OP(=O)(O)OCC4OC(N5C=NC6=C(N)N=CN=C65)C(O)C4O)OC31)C(=O)[NH]C(N)=N25669.9Standard non polar33892256
Molybdopterin-AMP,1TBDMS,isomer #10CC(C)(C)[Si](C)(C)N1C2=C(NC3C(S)=C(S)C(COP(=O)(O)OP(=O)(O)OCC4OC(N5C=NC6=C(N)N=CN=C65)C(O)C4O)OC31)C(=O)[NH]C(N)=N210933.4Standard polar33892256
Molybdopterin-AMP,1TBDMS,isomer #11CC(C)(C)[Si](C)(C)N1C(N)=NC2=C(NC3C(S)=C(S)C(COP(=O)(O)OP(=O)(O)OCC4OC(N5C=NC6=C(N)N=CN=C65)C(O)C4O)OC3N2)C1=O6854.7Semi standard non polar33892256
Molybdopterin-AMP,1TBDMS,isomer #11CC(C)(C)[Si](C)(C)N1C(N)=NC2=C(NC3C(S)=C(S)C(COP(=O)(O)OP(=O)(O)OCC4OC(N5C=NC6=C(N)N=CN=C65)C(O)C4O)OC3N2)C1=O5764.6Standard non polar33892256
Molybdopterin-AMP,1TBDMS,isomer #11CC(C)(C)[Si](C)(C)N1C(N)=NC2=C(NC3C(S)=C(S)C(COP(=O)(O)OP(=O)(O)OCC4OC(N5C=NC6=C(N)N=CN=C65)C(O)C4O)OC3N2)C1=O11170.5Standard polar33892256
Molybdopterin-AMP,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)[NH]C(N)=N4)OC(N2C=NC3=C(N)N=CN=C32)C1O6969.9Semi standard non polar33892256
Molybdopterin-AMP,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)[NH]C(N)=N4)OC(N2C=NC3=C(N)N=CN=C32)C1O5662.7Standard non polar33892256
Molybdopterin-AMP,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)[NH]C(N)=N4)OC(N2C=NC3=C(N)N=CN=C32)C1O11024.8Standard polar33892256
Molybdopterin-AMP,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC2NC3=C(NC2C(S)=C1S)C(=O)[NH]C(N)=N3)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O6970.3Semi standard non polar33892256
Molybdopterin-AMP,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC2NC3=C(NC2C(S)=C1S)C(=O)[NH]C(N)=N3)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O5777.5Standard non polar33892256
Molybdopterin-AMP,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC2NC3=C(NC2C(S)=C1S)C(=O)[NH]C(N)=N3)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O10927.4Standard polar33892256
Molybdopterin-AMP,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O)OP(=O)(O)OCC1OC2NC3=C(NC2C(S)=C1S)C(=O)[NH]C(N)=N36971.4Semi standard non polar33892256
Molybdopterin-AMP,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O)OP(=O)(O)OCC1OC2NC3=C(NC2C(S)=C1S)C(=O)[NH]C(N)=N35785.6Standard non polar33892256
Molybdopterin-AMP,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O)OP(=O)(O)OCC1OC2NC3=C(NC2C(S)=C1S)C(=O)[NH]C(N)=N310923.7Standard polar33892256
Molybdopterin-AMP,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)SC1=C(S)C2NC3=C(N=C(N)[NH]C3=O)NC2OC1COP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O6884.9Semi standard non polar33892256
Molybdopterin-AMP,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)SC1=C(S)C2NC3=C(N=C(N)[NH]C3=O)NC2OC1COP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O5719.0Standard non polar33892256
Molybdopterin-AMP,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)SC1=C(S)C2NC3=C(N=C(N)[NH]C3=O)NC2OC1COP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O11408.0Standard polar33892256
Molybdopterin-AMP,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)SC1=C(S)C(COP(=O)(O)OP(=O)(O)OCC2OC(N3C=NC4=C(N)N=CN=C43)C(O)C2O)OC2NC3=C(NC12)C(=O)[NH]C(N)=N36868.3Semi standard non polar33892256
Molybdopterin-AMP,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)SC1=C(S)C(COP(=O)(O)OP(=O)(O)OCC2OC(N3C=NC4=C(N)N=CN=C43)C(O)C2O)OC2NC3=C(NC12)C(=O)[NH]C(N)=N35711.9Standard non polar33892256
Molybdopterin-AMP,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)SC1=C(S)C(COP(=O)(O)OP(=O)(O)OCC2OC(N3C=NC4=C(N)N=CN=C43)C(O)C2O)OC2NC3=C(NC12)C(=O)[NH]C(N)=N311336.0Standard polar33892256
Molybdopterin-AMP,1TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC2=C(NC3C(S)=C(S)C(COP(=O)(O)OP(=O)(O)OCC4OC(N5C=NC6=C(N)N=CN=C65)C(O)C4O)OC3N2)C(=O)[NH]16945.3Semi standard non polar33892256
Molybdopterin-AMP,1TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC2=C(NC3C(S)=C(S)C(COP(=O)(O)OP(=O)(O)OCC4OC(N5C=NC6=C(N)N=CN=C65)C(O)C4O)OC3N2)C(=O)[NH]15748.4Standard non polar33892256
Molybdopterin-AMP,1TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC2=C(NC3C(S)=C(S)C(COP(=O)(O)OP(=O)(O)OCC4OC(N5C=NC6=C(N)N=CN=C65)C(O)C4O)OC3N2)C(=O)[NH]111147.4Standard polar33892256
Molybdopterin-AMP,1TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)[NH]C(N)=N4)C(O)C1O6939.7Semi standard non polar33892256
Molybdopterin-AMP,1TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)[NH]C(N)=N4)C(O)C1O5701.0Standard non polar33892256
Molybdopterin-AMP,1TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3NC4=C(NC3C(S)=C2S)C(=O)[NH]C(N)=N4)C(O)C1O10906.6Standard polar33892256
Molybdopterin-AMP,1TBDMS,isomer #9CC(C)(C)[Si](C)(C)N1C2=C(N=C(N)[NH]C2=O)NC2OC(COP(=O)(O)OP(=O)(O)OCC3OC(N4C=NC5=C(N)N=CN=C54)C(O)C3O)C(S)=C(S)C216755.4Semi standard non polar33892256
Molybdopterin-AMP,1TBDMS,isomer #9CC(C)(C)[Si](C)(C)N1C2=C(N=C(N)[NH]C2=O)NC2OC(COP(=O)(O)OP(=O)(O)OCC3OC(N4C=NC5=C(N)N=CN=C54)C(O)C3O)C(S)=C(S)C215639.0Standard non polar33892256
Molybdopterin-AMP,1TBDMS,isomer #9CC(C)(C)[Si](C)(C)N1C2=C(N=C(N)[NH]C2=O)NC2OC(COP(=O)(O)OP(=O)(O)OCC3OC(N4C=NC5=C(N)N=CN=C54)C(O)C3O)C(S)=C(S)C2110865.4Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Molybdopterin-AMP GC-MS (Non-derivatized) - 70eV, Positivesplash10-004l-1723920100-bb1613d2f84a938b7a7e2017-11-06Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Molybdopterin-AMP 10V, Positive-QTOFsplash10-000i-0931101300-8d586fe7752001dd24cb2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Molybdopterin-AMP 20V, Positive-QTOFsplash10-000i-0911000000-b051063e6b7a0a63f1f62015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Molybdopterin-AMP 40V, Positive-QTOFsplash10-000i-1910000000-34bc9592e93856ccd5c22015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Molybdopterin-AMP 10V, Negative-QTOFsplash10-08n9-1790232100-43f0c1f38049a8fdaf612015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Molybdopterin-AMP 20V, Negative-QTOFsplash10-001i-0910600000-682c0ffebbb9af7a01342015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Molybdopterin-AMP 40V, Negative-QTOFsplash10-0a7i-3900000000-6aece1e85f04e32c27712015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Molybdopterin-AMP 10V, Positive-QTOFsplash10-004i-0001000900-ffa1a59ff1824e74917a2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Molybdopterin-AMP 20V, Positive-QTOFsplash10-002b-0393011600-d5404022df3e8fd231bf2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Molybdopterin-AMP 40V, Positive-QTOFsplash10-000i-0923000000-b412c4768c16140663412021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Molybdopterin-AMP 10V, Negative-QTOFsplash10-00di-0000002900-a1df204dd3a6582fbd672021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Molybdopterin-AMP 20V, Negative-QTOFsplash10-00gr-9502308500-32959dd120e4650013722021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Molybdopterin-AMP 40V, Negative-QTOFsplash10-0a4i-4905805200-c9d6b2442ad99b0bcf052021-09-24Wishart 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 LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB028901
KNApSAcK IDNot Available
Chemspider ID35032425
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound25245677
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 ReferencesNot Available