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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-10-30 10:32:48 UTC
Update Date2021-09-14 15:20:01 UTC
HMDB IDHMDB0059639
Secondary Accession Numbers
  • HMDB59639
Metabolite Identification
Common NameCyclic pyranopterin monophosphate
DescriptionCyclic pyranopterin monophosphate, also known as CPMP or precursor Z, hydrated, belongs to the class of organic compounds known as pyranopterins and derivatives. These are pterin derivatives in which a pyran ring is fused either to the pyrimidine ring or the pyrazine ring of the pterin moiety. Cyclic pyranopterin monophosphate exists in all living organisms, ranging from bacteria to humans. Cyclic pyranopterin monophosphate 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 significant number of articles have been published on Cyclic pyranopterin monophosphate.
Structure
Data?1563865958
Synonyms
ValueSource
CPMPChEBI
Cyclic pyranopterin monophoshateChEBI
Precursor Z, hydratedChEBI
Cyclic pyranopterin phosphateKegg
Cyclic pyranopterin monophoshic acidGenerator
Cyclic pyranopterin phosphoric acidGenerator
Cyclic pyranopterin monophosphoric acidGenerator
CPMP CPDMeSH, HMDB
Chemical FormulaC10H14N5O8P
Average Molecular Weight363.2206
Monoisotopic Molecular Weight363.057998961
IUPAC Name(4aR,5aR,11aR,12aS)-2,10,12,12-tetrahydroxy-8-imino-4,4a,5a,6,7,8,11,11a,12,12a-decahydro-2H-1,3,5-trioxa-6,7,9,11-tetraaza-2lambda5-phosphatetracen-2-one
Traditional Name(4aR,5aR,11aR,12aS)-2,10,12,12-tetrahydroxy-8-imino-4,4a,5a,6,7,11,11a,12a-octahydro-1,3,5-trioxa-6,7,9,11-tetraaza-2lambda5-phosphatetracen-2-one
CAS Registry Number150829-29-1
SMILES
[H][C@@]12COP(O)(=O)O[C@]1([H])C(O)(O)[C@]1([H])NC3=C(NC(=N)N=C3O)N[C@]1([H])O2
InChI Identifier
InChI=1S/C10H14N5O8P/c11-9-14-6-3(7(16)15-9)12-4-8(13-6)22-2-1-21-24(19,20)23-5(2)10(4,17)18/h2,4-5,8,12,17-18H,1H2,(H,19,20)(H4,11,13,14,15,16)/t2-,4-,5+,8-/m1/s1
InChI KeyCZAKJJUNKNPTTO-AJFJRRQVSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as pyranopterins and derivatives. These are pterin derivatives in which a pyran ring is fused either to the pyrimidine ring or the pyrazine ring of the pterin moiety.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassPteridines and derivatives
Sub ClassPterins and derivatives
Direct ParentPyranopterins and derivatives
Alternative Parents
Substituents
  • Pyranopterin
  • Aminopyrimidine
  • Pyrimidone
  • Secondary aliphatic/aromatic amine
  • Monosaccharide
  • Organic phosphoric acid derivative
  • Oxane
  • Pyrimidine
  • Heteroaromatic compound
  • Vinylogous amide
  • Carbonyl hydrate
  • Polyol
  • Oxacycle
  • Azacycle
  • Secondary amine
  • Organic nitrogen compound
  • Organic oxide
  • Organooxygen compound
  • Organonitrogen compound
  • Organopnictogen compound
  • Primary amine
  • Hydrocarbon derivative
  • Amine
  • Organic oxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Disposition

Source

Route of exposure

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Spectral PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility9.05 g/LALOGPS
logP10(-2) g/LALOGPS
logP10(-3.2) g/LChemAxon
logS10(-1.6) g/LALOGPS
pKa (Strongest Acidic)1.8ChemAxon
pKa (Strongest Basic)3.96ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count8ChemAxon
Polar Surface Area197.98 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity93.04 m³·mol⁻¹ChemAxon
Polarizability29.91 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Spectral Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+179.13431661259
DarkChem[M-H]-174.13231661259

Predicted Kovats Retention Indices

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Cyclic pyranopterin monophosphate,1TMS,#1C[Si](C)(C)OC1(O)[C@H]2OP(=O)(O)OC[C@H]2O[C@H]2NC3=C(N[C@H]21)C(O)=NC(=N)[NH]33506.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,1TMS,#2C[Si](C)(C)OC1=NC(=N)[NH]C2=C1N[C@@H]1[C@H](N2)O[C@@H]2COP(=O)(O)O[C@@H]2C1(O)O3491.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,1TMS,#3C[Si](C)(C)OP1(=O)OC[C@H]2O[C@H]3NC4=C(N[C@H]3C(O)(O)[C@H]2O1)C(O)=NC(=N)[NH]43602.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,1TMS,#4C[Si](C)(C)N1C2=C(N[C@@H]3O[C@@H]4COP(=O)(O)O[C@@H]4C(O)(O)[C@@H]31)[NH]C(=N)N=C2O3397.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,1TMS,#5C[Si](C)(C)N1C2=C(N[C@@H]3[C@H](N2)O[C@@H]2COP(=O)(O)O[C@@H]2C3(O)O)C(O)=NC1=N3532.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,1TMS,#6C[Si](C)(C)N=C1N=C(O)C2=C(N[C@@H]3O[C@@H]4COP(=O)(O)O[C@@H]4C(O)(O)[C@@H]3N2)[NH]13528.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,1TMS,#7C[Si](C)(C)N1C2=C(N[C@@H]3[C@H]1O[C@@H]1COP(=O)(O)O[C@@H]1C3(O)O)C(O)=NC(=N)[NH]23353.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,2TMS,#1C[Si](C)(C)OC1(O[Si](C)(C)C)[C@H]2OP(=O)(O)OC[C@H]2O[C@H]2NC3=C(N[C@H]21)C(O)=NC(=N)[NH]33421.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,2TMS,#2C[Si](C)(C)OC1=NC(=N)[NH]C2=C1N[C@@H]1[C@H](N2)O[C@@H]2COP(=O)(O)O[C@@H]2C1(O)O[Si](C)(C)C3362.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,2TMS,#3C[Si](C)(C)OC1(O)[C@H]2OP(=O)(O[Si](C)(C)C)OC[C@H]2O[C@H]2NC3=C(N[C@H]21)C(O)=NC(=N)[NH]33436.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,2TMS,#4C[Si](C)(C)OC1(O)[C@H]2OP(=O)(O)OC[C@H]2O[C@@H]2[C@H]1NC1=C([NH]C(=N)N=C1O)N2[Si](C)(C)C3249.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,2TMS,#5C[Si](C)(C)OC1(O)[C@H]2OP(=O)(O)OC[C@H]2O[C@H]2NC3=C(N[C@H]21)C(O)=NC(=N)N3[Si](C)(C)C3392.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,2TMS,#6C[Si](C)(C)N=C1N=C(O)C2=C(N[C@@H]3O[C@@H]4COP(=O)(O)O[C@@H]4C(O)(O[Si](C)(C)C)[C@@H]3N2)[NH]13349.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,2TMS,#7C[Si](C)(C)OC1(O)[C@H]2OP(=O)(O)OC[C@H]2O[C@H]2NC3=C(C(O)=NC(=N)[NH]3)N([Si](C)(C)C)[C@H]213295.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,2TMS,#8C[Si](C)(C)OC1=NC(=N)[NH]C2=C1N[C@@H]1[C@H](N2)O[C@@H]2COP(=O)(O[Si](C)(C)C)O[C@@H]2C1(O)O3409.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,2TMS,#9C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N[C@@H]3O[C@@H]4COP(=O)(O)O[C@@H]4C(O)(O)[C@@H]3N2)[NH]13388.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,2TMS,#10C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N[C@@H]1[C@H](N2)O[C@@H]2COP(=O)(O)O[C@@H]2C1(O)O3375.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,2TMS,#11C[Si](C)(C)OC1=NC(=N)[NH]C2=C1N([Si](C)(C)C)[C@@H]1[C@H](N2)O[C@@H]2COP(=O)(O)O[C@@H]2C1(O)O3301.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,2TMS,#12C[Si](C)(C)OC1=NC(=N)[NH]C2=C1N[C@@H]1[C@@H](O[C@@H]3COP(=O)(O)O[C@@H]3C1(O)O)N2[Si](C)(C)C3263.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,2TMS,#13C[Si](C)(C)OP1(=O)OC[C@H]2O[C@@H]3[C@@H](NC4=C([NH]C(=N)N=C4O)N3[Si](C)(C)C)C(O)(O)[C@H]2O13264.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,2TMS,#14C[Si](C)(C)OP1(=O)OC[C@H]2O[C@H]3NC4=C(N[C@H]3C(O)(O)[C@H]2O1)C(O)=NC(=N)N4[Si](C)(C)C3449.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,2TMS,#15C[Si](C)(C)N=C1N=C(O)C2=C(N[C@@H]3O[C@@H]4COP(=O)(O[Si](C)(C)C)O[C@@H]4C(O)(O)[C@@H]3N2)[NH]13406.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,2TMS,#16C[Si](C)(C)OP1(=O)OC[C@H]2O[C@H]3NC4=C(C(O)=NC(=N)[NH]4)N([Si](C)(C)C)[C@H]3C(O)(O)[C@H]2O13317.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,2TMS,#17C[Si](C)(C)N=C1N=C(O)C2=C(N[C@@H]3O[C@@H]4COP(=O)(O)O[C@@H]4C(O)(O)[C@@H]3N2[Si](C)(C)C)[NH]13302.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,2TMS,#18C[Si](C)(C)N1C2=C(N[C@@H]3O[C@@H]4COP(=O)(O)O[C@@H]4C(O)(O)[C@@H]31)N([Si](C)(C)C)C(=N)N=C2O3325.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,2TMS,#19C[Si](C)(C)N1C2=C(C(O)=NC(=N)[NH]2)N([Si](C)(C)C)[C@@H]2[C@H]1O[C@@H]1COP(=O)(O)O[C@@H]1C2(O)O3183.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,2TMS,#20C[Si](C)(C)N=C1N=C(O)C2=C(N[C@@H]3O[C@@H]4COP(=O)(O)O[C@@H]4C(O)(O)[C@@H]3N2)N1[Si](C)(C)C3431.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,2TMS,#21C[Si](C)(C)N1C2=C(N[C@@H]3[C@H]1O[C@@H]1COP(=O)(O)O[C@@H]1C3(O)O)C(O)=NC(=N)N2[Si](C)(C)C3283.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,2TMS,#22C[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N([Si](C)(C)C)[C@@H]1O[C@@H]3COP(=O)(O)O[C@@H]3C(O)(O)[C@@H]1N23226.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TMS,#1C[Si](C)(C)OC1=NC(=N)[NH]C2=C1N[C@@H]1[C@H](N2)O[C@@H]2COP(=O)(O)O[C@@H]2C1(O[Si](C)(C)C)O[Si](C)(C)C3332.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TMS,#2C[Si](C)(C)OC1(O[Si](C)(C)C)[C@H]2OP(=O)(O[Si](C)(C)C)OC[C@H]2O[C@H]2NC3=C(N[C@H]21)C(O)=NC(=N)[NH]33340.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TMS,#3C[Si](C)(C)OC1(O[Si](C)(C)C)[C@H]2OP(=O)(O)OC[C@H]2O[C@@H]2[C@H]1NC1=C([NH]C(=N)N=C1O)N2[Si](C)(C)C3221.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TMS,#4C[Si](C)(C)OC1(O[Si](C)(C)C)[C@H]2OP(=O)(O)OC[C@H]2O[C@H]2NC3=C(N[C@H]21)C(O)=NC(=N)N3[Si](C)(C)C3346.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TMS,#5C[Si](C)(C)N=C1N=C(O)C2=C(N[C@@H]3O[C@@H]4COP(=O)(O)O[C@@H]4C(O[Si](C)(C)C)(O[Si](C)(C)C)[C@@H]3N2)[NH]13296.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TMS,#6C[Si](C)(C)OC1(O[Si](C)(C)C)[C@H]2OP(=O)(O)OC[C@H]2O[C@H]2NC3=C(C(O)=NC(=N)[NH]3)N([Si](C)(C)C)[C@H]213258.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TMS,#7C[Si](C)(C)OC1=NC(=N)[NH]C2=C1N[C@@H]1[C@H](N2)O[C@@H]2COP(=O)(O[Si](C)(C)C)O[C@@H]2C1(O)O[Si](C)(C)C3317.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TMS,#8C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N[C@@H]3O[C@@H]4COP(=O)(O)O[C@@H]4C(O)(O[Si](C)(C)C)[C@@H]3N2)[NH]13299.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TMS,#9C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N[C@@H]1[C@H](N2)O[C@@H]2COP(=O)(O)O[C@@H]2C1(O)O[Si](C)(C)C3311.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TMS,#10C[Si](C)(C)OC1=NC(=N)[NH]C2=C1N([Si](C)(C)C)[C@@H]1[C@H](N2)O[C@@H]2COP(=O)(O)O[C@@H]2C1(O)O[Si](C)(C)C3255.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TMS,#11C[Si](C)(C)OC1=NC(=N)[NH]C2=C1N[C@@H]1[C@@H](O[C@@H]3COP(=O)(O)O[C@@H]3C1(O)O[Si](C)(C)C)N2[Si](C)(C)C3212.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TMS,#12C[Si](C)(C)OC1(O)[C@H]2OP(=O)(O[Si](C)(C)C)OC[C@H]2O[C@@H]2[C@H]1NC1=C([NH]C(=N)N=C1O)N2[Si](C)(C)C3205.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TMS,#13C[Si](C)(C)OC1(O)[C@H]2OP(=O)(O[Si](C)(C)C)OC[C@H]2O[C@H]2NC3=C(N[C@H]21)C(O)=NC(=N)N3[Si](C)(C)C3342.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TMS,#14C[Si](C)(C)N=C1N=C(O)C2=C(N[C@@H]3O[C@@H]4COP(=O)(O[Si](C)(C)C)O[C@@H]4C(O)(O[Si](C)(C)C)[C@@H]3N2)[NH]13276.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TMS,#15C[Si](C)(C)OC1(O)[C@H]2OP(=O)(O[Si](C)(C)C)OC[C@H]2O[C@H]2NC3=C(C(O)=NC(=N)[NH]3)N([Si](C)(C)C)[C@H]213235.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TMS,#16C[Si](C)(C)OC1(O)[C@H]2OP(=O)(O)OC[C@H]2O[C@@H]2[C@H]1N([Si](C)(C)C)C1=C([NH]C(=N)N=C1O)N2[Si](C)(C)C3152.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TMS,#17C[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N([Si](C)(C)C)[C@@H]1O[C@@H]3COP(=O)(O)O[C@@H]3C(O)(O[Si](C)(C)C)[C@@H]1N23173.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TMS,#18C[Si](C)(C)OC1(O)[C@H]2OP(=O)(O)OC[C@H]2O[C@@H]2[C@H]1NC1=C(N2[Si](C)(C)C)N([Si](C)(C)C)C(=N)N=C1O3257.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TMS,#19C[Si](C)(C)N=C1N=C(O)C2=C(N[C@@H]3O[C@@H]4COP(=O)(O)O[C@@H]4C(O)(O[Si](C)(C)C)[C@@H]3N2)N1[Si](C)(C)C3328.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TMS,#20C[Si](C)(C)OC1(O)[C@H]2OP(=O)(O)OC[C@H]2O[C@H]2NC3=C(C(O)=NC(=N)N3[Si](C)(C)C)N([Si](C)(C)C)[C@H]213284.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TMS,#21C[Si](C)(C)N=C1N=C(O)C2=C(N[C@@H]3O[C@@H]4COP(=O)(O)O[C@@H]4C(O)(O[Si](C)(C)C)[C@@H]3N2[Si](C)(C)C)[NH]13218.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TMS,#22C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N[C@@H]3O[C@@H]4COP(=O)(O[Si](C)(C)C)O[C@@H]4C(O)(O)[C@@H]3N2)[NH]13321.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TMS,#23C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N[C@@H]1[C@H](N2)O[C@@H]2COP(=O)(O[Si](C)(C)C)O[C@@H]2C1(O)O3336.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TMS,#24C[Si](C)(C)OC1=NC(=N)[NH]C2=C1N([Si](C)(C)C)[C@@H]1[C@H](N2)O[C@@H]2COP(=O)(O[Si](C)(C)C)O[C@@H]2C1(O)O3259.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TMS,#25C[Si](C)(C)OC1=NC(=N)[NH]C2=C1N[C@@H]1[C@@H](O[C@@H]3COP(=O)(O[Si](C)(C)C)O[C@@H]3C1(O)O)N2[Si](C)(C)C3224.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TMS,#26C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N[C@@H]3O[C@@H]4COP(=O)(O)O[C@@H]4C(O)(O)[C@@H]3N2)N1[Si](C)(C)C3325.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TMS,#27C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N([Si](C)(C)C)[C@@H]1O[C@@H]3COP(=O)(O)O[C@@H]3C(O)(O)[C@@H]1N23187.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TMS,#28C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N[C@@H]3O[C@@H]4COP(=O)(O)O[C@@H]4C(O)(O)[C@@H]3N2[Si](C)(C)C)[NH]13233.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TMS,#29C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N([Si](C)(C)C)[C@@H]1[C@H](N2)O[C@@H]2COP(=O)(O)O[C@@H]2C1(O)O3306.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TMS,#30C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N[C@@H]1[C@@H](O[C@@H]3COP(=O)(O)O[C@@H]3C1(O)O)N2[Si](C)(C)C3244.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TMS,#31C[Si](C)(C)OC1=NC(=N)[NH]C2=C1N([Si](C)(C)C)[C@@H]1[C@@H](O[C@@H]3COP(=O)(O)O[C@@H]3C1(O)O)N2[Si](C)(C)C3177.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TMS,#32C[Si](C)(C)OP1(=O)OC[C@H]2O[C@@H]3[C@@H](N([Si](C)(C)C)C4=C([NH]C(=N)N=C4O)N3[Si](C)(C)C)C(O)(O)[C@H]2O13152.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TMS,#33C[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N([Si](C)(C)C)[C@@H]1O[C@@H]3COP(=O)(O[Si](C)(C)C)O[C@@H]3C(O)(O)[C@@H]1N23181.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TMS,#34C[Si](C)(C)OP1(=O)OC[C@H]2O[C@@H]3[C@@H](NC4=C(N3[Si](C)(C)C)N([Si](C)(C)C)C(=N)N=C4O)C(O)(O)[C@H]2O13261.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TMS,#35C[Si](C)(C)N=C1N=C(O)C2=C(N[C@@H]3O[C@@H]4COP(=O)(O[Si](C)(C)C)O[C@@H]4C(O)(O)[C@@H]3N2)N1[Si](C)(C)C3349.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TMS,#36C[Si](C)(C)OP1(=O)OC[C@H]2O[C@H]3NC4=C(C(O)=NC(=N)N4[Si](C)(C)C)N([Si](C)(C)C)[C@H]3C(O)(O)[C@H]2O13304.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TMS,#37C[Si](C)(C)N=C1N=C(O)C2=C(N[C@@H]3O[C@@H]4COP(=O)(O[Si](C)(C)C)O[C@@H]4C(O)(O)[C@@H]3N2[Si](C)(C)C)[NH]13209.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TMS,#38C[Si](C)(C)N=C1N=C(O)C2=C(N[C@@H]3O[C@@H]4COP(=O)(O)O[C@@H]4C(O)(O)[C@@H]3N2[Si](C)(C)C)N1[Si](C)(C)C3297.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TMS,#39C[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N([Si](C)(C)C)[C@@H]1O[C@@H]3COP(=O)(O)O[C@@H]3C(O)(O)[C@@H]1N2[Si](C)(C)C3105.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TMS,#40C[Si](C)(C)N1C2=C(C(O)=NC(=N)N2[Si](C)(C)C)N([Si](C)(C)C)[C@@H]2[C@H]1O[C@@H]1COP(=O)(O)O[C@@H]1C2(O)O3233.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TMS,#41C[Si](C)(C)N=C1N=C(O)C2=C(N([Si](C)(C)C)[C@@H]3O[C@@H]4COP(=O)(O)O[C@@H]4C(O)(O)[C@@H]3N2)N1[Si](C)(C)C3262.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,1TBDMS,#1CC(C)(C)[Si](C)(C)OC1(O)[C@H]2OP(=O)(O)OC[C@H]2O[C@H]2NC3=C(N[C@H]21)C(O)=NC(=N)[NH]33762.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,1TBDMS,#2CC(C)(C)[Si](C)(C)OC1=NC(=N)[NH]C2=C1N[C@@H]1[C@H](N2)O[C@@H]2COP(=O)(O)O[C@@H]2C1(O)O3748.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,1TBDMS,#3CC(C)(C)[Si](C)(C)OP1(=O)OC[C@H]2O[C@H]3NC4=C(N[C@H]3C(O)(O)[C@H]2O1)C(O)=NC(=N)[NH]43849.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,1TBDMS,#4CC(C)(C)[Si](C)(C)N1C2=C(N[C@@H]3O[C@@H]4COP(=O)(O)O[C@@H]4C(O)(O)[C@@H]31)[NH]C(=N)N=C2O3701.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,1TBDMS,#5CC(C)(C)[Si](C)(C)N1C2=C(N[C@@H]3[C@H](N2)O[C@@H]2COP(=O)(O)O[C@@H]2C3(O)O)C(O)=NC1=N3764.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,1TBDMS,#6CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C(N[C@@H]3O[C@@H]4COP(=O)(O)O[C@@H]4C(O)(O)[C@@H]3N2)[NH]13801.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,1TBDMS,#7CC(C)(C)[Si](C)(C)N1C2=C(N[C@@H]3[C@H]1O[C@@H]1COP(=O)(O)O[C@@H]1C3(O)O)C(O)=NC(=N)[NH]23594.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,2TBDMS,#1CC(C)(C)[Si](C)(C)OC1(O[Si](C)(C)C(C)(C)C)[C@H]2OP(=O)(O)OC[C@H]2O[C@H]2NC3=C(N[C@H]21)C(O)=NC(=N)[NH]33881.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,2TBDMS,#2CC(C)(C)[Si](C)(C)OC1=NC(=N)[NH]C2=C1N[C@@H]1[C@H](N2)O[C@@H]2COP(=O)(O)O[C@@H]2C1(O)O[Si](C)(C)C(C)(C)C3837.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,2TBDMS,#3CC(C)(C)[Si](C)(C)OC1(O)[C@H]2OP(=O)(O[Si](C)(C)C(C)(C)C)OC[C@H]2O[C@H]2NC3=C(N[C@H]21)C(O)=NC(=N)[NH]33897.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,2TBDMS,#4CC(C)(C)[Si](C)(C)OC1(O)[C@H]2OP(=O)(O)OC[C@H]2O[C@@H]2[C@H]1NC1=C([NH]C(=N)N=C1O)N2[Si](C)(C)C(C)(C)C3686.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,2TBDMS,#5CC(C)(C)[Si](C)(C)OC1(O)[C@H]2OP(=O)(O)OC[C@H]2O[C@H]2NC3=C(N[C@H]21)C(O)=NC(=N)N3[Si](C)(C)C(C)(C)C3834.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,2TBDMS,#6CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C(N[C@@H]3O[C@@H]4COP(=O)(O)O[C@@H]4C(O)(O[Si](C)(C)C(C)(C)C)[C@@H]3N2)[NH]13807.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,2TBDMS,#7CC(C)(C)[Si](C)(C)OC1(O)[C@H]2OP(=O)(O)OC[C@H]2O[C@H]2NC3=C(C(O)=NC(=N)[NH]3)N([Si](C)(C)C(C)(C)C)[C@H]213781.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,2TBDMS,#8CC(C)(C)[Si](C)(C)OC1=NC(=N)[NH]C2=C1N[C@@H]1[C@H](N2)O[C@@H]2COP(=O)(O[Si](C)(C)C(C)(C)C)O[C@@H]2C1(O)O3889.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,2TBDMS,#9CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C(N[C@@H]3O[C@@H]4COP(=O)(O)O[C@@H]4C(O)(O)[C@@H]3N2)[NH]13864.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,2TBDMS,#10CC(C)(C)[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C(C)(C)C)C2=C1N[C@@H]1[C@H](N2)O[C@@H]2COP(=O)(O)O[C@@H]2C1(O)O3849.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,2TBDMS,#11CC(C)(C)[Si](C)(C)OC1=NC(=N)[NH]C2=C1N([Si](C)(C)C(C)(C)C)[C@@H]1[C@H](N2)O[C@@H]2COP(=O)(O)O[C@@H]2C1(O)O3790.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,2TBDMS,#12CC(C)(C)[Si](C)(C)OC1=NC(=N)[NH]C2=C1N[C@@H]1[C@@H](O[C@@H]3COP(=O)(O)O[C@@H]3C1(O)O)N2[Si](C)(C)C(C)(C)C3729.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,2TBDMS,#13CC(C)(C)[Si](C)(C)OP1(=O)OC[C@H]2O[C@@H]3[C@@H](NC4=C([NH]C(=N)N=C4O)N3[Si](C)(C)C(C)(C)C)C(O)(O)[C@H]2O13716.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,2TBDMS,#14CC(C)(C)[Si](C)(C)OP1(=O)OC[C@H]2O[C@H]3NC4=C(N[C@H]3C(O)(O)[C@H]2O1)C(O)=NC(=N)N4[Si](C)(C)C(C)(C)C3900.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,2TBDMS,#15CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C(N[C@@H]3O[C@@H]4COP(=O)(O[Si](C)(C)C(C)(C)C)O[C@@H]4C(O)(O)[C@@H]3N2)[NH]13850.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,2TBDMS,#16CC(C)(C)[Si](C)(C)OP1(=O)OC[C@H]2O[C@H]3NC4=C(C(O)=NC(=N)[NH]4)N([Si](C)(C)C(C)(C)C)[C@H]3C(O)(O)[C@H]2O13833.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,2TBDMS,#17CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C(N[C@@H]3O[C@@H]4COP(=O)(O)O[C@@H]4C(O)(O)[C@@H]3N2[Si](C)(C)C(C)(C)C)[NH]13778.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,2TBDMS,#18CC(C)(C)[Si](C)(C)N1C2=C(N[C@@H]3O[C@@H]4COP(=O)(O)O[C@@H]4C(O)(O)[C@@H]31)N([Si](C)(C)C(C)(C)C)C(=N)N=C2O3829.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,2TBDMS,#19CC(C)(C)[Si](C)(C)N1C2=C(C(O)=NC(=N)[NH]2)N([Si](C)(C)C(C)(C)C)[C@@H]2[C@H]1O[C@@H]1COP(=O)(O)O[C@@H]1C2(O)O3652.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,2TBDMS,#20CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C(N[C@@H]3O[C@@H]4COP(=O)(O)O[C@@H]4C(O)(O)[C@@H]3N2)N1[Si](C)(C)C(C)(C)C3916.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,2TBDMS,#21CC(C)(C)[Si](C)(C)N1C2=C(N[C@@H]3[C@H]1O[C@@H]1COP(=O)(O)O[C@@H]1C3(O)O)C(O)=NC(=N)N2[Si](C)(C)C(C)(C)C3765.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,2TBDMS,#22CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]3COP(=O)(O)O[C@@H]3C(O)(O)[C@@H]1N23701.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TBDMS,#1CC(C)(C)[Si](C)(C)OC1=NC(=N)[NH]C2=C1N[C@@H]1[C@H](N2)O[C@@H]2COP(=O)(O)O[C@@H]2C1(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3960.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TBDMS,#2CC(C)(C)[Si](C)(C)OC1(O[Si](C)(C)C(C)(C)C)[C@H]2OP(=O)(O[Si](C)(C)C(C)(C)C)OC[C@H]2O[C@H]2NC3=C(N[C@H]21)C(O)=NC(=N)[NH]34004.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TBDMS,#3CC(C)(C)[Si](C)(C)OC1(O[Si](C)(C)C(C)(C)C)[C@H]2OP(=O)(O)OC[C@H]2O[C@@H]2[C@H]1NC1=C([NH]C(=N)N=C1O)N2[Si](C)(C)C(C)(C)C3835.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TBDMS,#4CC(C)(C)[Si](C)(C)OC1(O[Si](C)(C)C(C)(C)C)[C@H]2OP(=O)(O)OC[C@H]2O[C@H]2NC3=C(N[C@H]21)C(O)=NC(=N)N3[Si](C)(C)C(C)(C)C4009.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TBDMS,#5CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C(N[C@@H]3O[C@@H]4COP(=O)(O)O[C@@H]4C(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@H]3N2)[NH]13941.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TBDMS,#6CC(C)(C)[Si](C)(C)OC1(O[Si](C)(C)C(C)(C)C)[C@H]2OP(=O)(O)OC[C@H]2O[C@H]2NC3=C(C(O)=NC(=N)[NH]3)N([Si](C)(C)C(C)(C)C)[C@H]213914.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TBDMS,#7CC(C)(C)[Si](C)(C)OC1=NC(=N)[NH]C2=C1N[C@@H]1[C@H](N2)O[C@@H]2COP(=O)(O[Si](C)(C)C(C)(C)C)O[C@@H]2C1(O)O[Si](C)(C)C(C)(C)C3982.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TBDMS,#8CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C(N[C@@H]3O[C@@H]4COP(=O)(O)O[C@@H]4C(O)(O[Si](C)(C)C(C)(C)C)[C@@H]3N2)[NH]13922.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TBDMS,#9CC(C)(C)[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C(C)(C)C)C2=C1N[C@@H]1[C@H](N2)O[C@@H]2COP(=O)(O)O[C@@H]2C1(O)O[Si](C)(C)C(C)(C)C3982.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TBDMS,#10CC(C)(C)[Si](C)(C)OC1=NC(=N)[NH]C2=C1N([Si](C)(C)C(C)(C)C)[C@@H]1[C@H](N2)O[C@@H]2COP(=O)(O)O[C@@H]2C1(O)O[Si](C)(C)C(C)(C)C3918.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TBDMS,#11CC(C)(C)[Si](C)(C)OC1=NC(=N)[NH]C2=C1N[C@@H]1[C@@H](O[C@@H]3COP(=O)(O)O[C@@H]3C1(O)O[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C3842.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TBDMS,#12CC(C)(C)[Si](C)(C)OC1(O)[C@H]2OP(=O)(O[Si](C)(C)C(C)(C)C)OC[C@H]2O[C@@H]2[C@H]1NC1=C([NH]C(=N)N=C1O)N2[Si](C)(C)C(C)(C)C3817.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TBDMS,#13CC(C)(C)[Si](C)(C)OC1(O)[C@H]2OP(=O)(O[Si](C)(C)C(C)(C)C)OC[C@H]2O[C@H]2NC3=C(N[C@H]21)C(O)=NC(=N)N3[Si](C)(C)C(C)(C)C4000.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TBDMS,#14CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C(N[C@@H]3O[C@@H]4COP(=O)(O[Si](C)(C)C(C)(C)C)O[C@@H]4C(O)(O[Si](C)(C)C(C)(C)C)[C@@H]3N2)[NH]13945.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TBDMS,#15CC(C)(C)[Si](C)(C)OC1(O)[C@H]2OP(=O)(O[Si](C)(C)C(C)(C)C)OC[C@H]2O[C@H]2NC3=C(C(O)=NC(=N)[NH]3)N([Si](C)(C)C(C)(C)C)[C@H]213910.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TBDMS,#16CC(C)(C)[Si](C)(C)OC1(O)[C@H]2OP(=O)(O)OC[C@H]2O[C@@H]2[C@H]1N([Si](C)(C)C(C)(C)C)C1=C([NH]C(=N)N=C1O)N2[Si](C)(C)C(C)(C)C3784.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TBDMS,#17CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]3COP(=O)(O)O[C@@H]3C(O)(O[Si](C)(C)C(C)(C)C)[C@@H]1N23822.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TBDMS,#18CC(C)(C)[Si](C)(C)OC1(O)[C@H]2OP(=O)(O)OC[C@H]2O[C@@H]2[C@H]1NC1=C(N2[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(=N)N=C1O3891.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TBDMS,#19CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C(N[C@@H]3O[C@@H]4COP(=O)(O)O[C@@H]4C(O)(O[Si](C)(C)C(C)(C)C)[C@@H]3N2)N1[Si](C)(C)C(C)(C)C3998.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TBDMS,#20CC(C)(C)[Si](C)(C)OC1(O)[C@H]2OP(=O)(O)OC[C@H]2O[C@H]2NC3=C(C(O)=NC(=N)N3[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[C@H]213962.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TBDMS,#21CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C(N[C@@H]3O[C@@H]4COP(=O)(O)O[C@@H]4C(O)(O[Si](C)(C)C(C)(C)C)[C@@H]3N2[Si](C)(C)C(C)(C)C)[NH]13890.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TBDMS,#22CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C(N[C@@H]3O[C@@H]4COP(=O)(O[Si](C)(C)C(C)(C)C)O[C@@H]4C(O)(O)[C@@H]3N2)[NH]13949.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TBDMS,#23CC(C)(C)[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C(C)(C)C)C2=C1N[C@@H]1[C@H](N2)O[C@@H]2COP(=O)(O[Si](C)(C)C(C)(C)C)O[C@@H]2C1(O)O3991.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TBDMS,#24CC(C)(C)[Si](C)(C)OC1=NC(=N)[NH]C2=C1N([Si](C)(C)C(C)(C)C)[C@@H]1[C@H](N2)O[C@@H]2COP(=O)(O[Si](C)(C)C(C)(C)C)O[C@@H]2C1(O)O3910.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TBDMS,#25CC(C)(C)[Si](C)(C)OC1=NC(=N)[NH]C2=C1N[C@@H]1[C@@H](O[C@@H]3COP(=O)(O[Si](C)(C)C(C)(C)C)O[C@@H]3C1(O)O)N2[Si](C)(C)C(C)(C)C3840.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TBDMS,#26CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C(N[C@@H]3O[C@@H]4COP(=O)(O)O[C@@H]4C(O)(O)[C@@H]3N2)N1[Si](C)(C)C(C)(C)C3991.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TBDMS,#27CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]3COP(=O)(O)O[C@@H]3C(O)(O)[C@@H]1N23842.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TBDMS,#28CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C(N[C@@H]3O[C@@H]4COP(=O)(O)O[C@@H]4C(O)(O)[C@@H]3N2[Si](C)(C)C(C)(C)C)[NH]13871.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TBDMS,#29CC(C)(C)[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C(C)(C)C)C2=C1N([Si](C)(C)C(C)(C)C)[C@@H]1[C@H](N2)O[C@@H]2COP(=O)(O)O[C@@H]2C1(O)O3961.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TBDMS,#30CC(C)(C)[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C(C)(C)C)C2=C1N[C@@H]1[C@@H](O[C@@H]3COP(=O)(O)O[C@@H]3C1(O)O)N2[Si](C)(C)C(C)(C)C3880.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TBDMS,#31CC(C)(C)[Si](C)(C)OC1=NC(=N)[NH]C2=C1N([Si](C)(C)C(C)(C)C)[C@@H]1[C@@H](O[C@@H]3COP(=O)(O)O[C@@H]3C1(O)O)N2[Si](C)(C)C(C)(C)C3778.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TBDMS,#32CC(C)(C)[Si](C)(C)OP1(=O)OC[C@H]2O[C@@H]3[C@@H](N([Si](C)(C)C(C)(C)C)C4=C([NH]C(=N)N=C4O)N3[Si](C)(C)C(C)(C)C)C(O)(O)[C@H]2O13760.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TBDMS,#33CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]3COP(=O)(O[Si](C)(C)C(C)(C)C)O[C@@H]3C(O)(O)[C@@H]1N23811.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TBDMS,#34CC(C)(C)[Si](C)(C)OP1(=O)OC[C@H]2O[C@@H]3[C@@H](NC4=C(N3[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(=N)N=C4O)C(O)(O)[C@H]2O13893.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TBDMS,#35CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C(N[C@@H]3O[C@@H]4COP(=O)(O[Si](C)(C)C(C)(C)C)O[C@@H]4C(O)(O)[C@@H]3N2)N1[Si](C)(C)C(C)(C)C4012.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TBDMS,#36CC(C)(C)[Si](C)(C)OP1(=O)OC[C@H]2O[C@H]3NC4=C(C(O)=NC(=N)N4[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[C@H]3C(O)(O)[C@H]2O13964.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TBDMS,#37CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C(N[C@@H]3O[C@@H]4COP(=O)(O[Si](C)(C)C(C)(C)C)O[C@@H]4C(O)(O)[C@@H]3N2[Si](C)(C)C(C)(C)C)[NH]13896.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TBDMS,#38CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C(N[C@@H]3O[C@@H]4COP(=O)(O)O[C@@H]4C(O)(O)[C@@H]3N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3976.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TBDMS,#39CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]3COP(=O)(O)O[C@@H]3C(O)(O)[C@@H]1N2[Si](C)(C)C(C)(C)C3772.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TBDMS,#40CC(C)(C)[Si](C)(C)N1C2=C(C(O)=NC(=N)N2[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[C@@H]2[C@H]1O[C@@H]1COP(=O)(O)O[C@@H]1C2(O)O3885.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
Cyclic pyranopterin monophosphate,3TBDMS,#41CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C(N([Si](C)(C)C(C)(C)C)[C@@H]3O[C@@H]4COP(=O)(O)O[C@@H]4C(O)(O)[C@@H]3N2)N1[Si](C)(C)C(C)(C)C3931.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
Spectra
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 IDFDB030760
KNApSAcK IDNot Available
Chemspider ID17221217
KEGG Compound IDC18239
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound16061579
PDB IDNot Available
ChEBI ID60210
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

Enzymes

General function:
Involved in Mo-molybdopterin cofactor biosynthetic process
Specific function:
Acts as a sulfur carrier required for molybdopterin biosynthesis. Component of the molybdopterin synthase complex that catalyzes the conversion of precursor Z into molybdopterin by mediating the incorporation of 2 sulfur atoms into precursor Z to generate a dithiolene group. In the complex, serves as sulfur donor by being thiocarboxylated (-COSH) at its C-terminus by MOCS3. After interaction with MOCS2B, the sulfur is then transferred to precursor Z to form molybdopterin.
Gene Name:
MOCS2
Uniprot ID:
O96033
Molecular weight:
9755.235
Reactions
Cyclic pyranopterin monophosphate + Sulfur donor → Molybdopterindetails
General function:
Involved in Mo-molybdopterin cofactor biosynthetic process
Specific function:
Catalytic subunit of the molybdopterin synthase complex, a complex that catalyzes the conversion of precursor Z into molybdopterin. Acts by mediating the incorporation of 2 sulfur atoms from thiocarboxylated MOCS2A into precursor Z to generate a dithiolene group.
Gene Name:
MOCS2
Uniprot ID:
O96007
Molecular weight:
20943.735
Reactions
Cyclic pyranopterin monophosphate + [molybdopterin-synthase sulfur-carrier protein]-Gly-NH-CH(2)-C(O)SH + Water → Molybdopterin + [molybdopterin-synthase sulfur-carrier protein]details
Cyclic pyranopterin monophosphate + Sulfur donor → Molybdopterindetails
General function:
Coenzyme transport and metabolism
Specific function:
Isoform MOCS1A and isoform MOCS1B probably form a complex that catalyzes the conversion of 5'-GTP to cyclic pyranopterin monophosphate (cPMP or molybdopterin precursor Z).
Gene Name:
MOCS1
Uniprot ID:
Q9NZB8
Molecular weight:
43087.69
Reactions
Guanosine triphosphate → Cyclic pyranopterin monophosphate + Pyrophosphatedetails
Guanosine triphosphate + Water → Cyclic pyranopterin monophosphate + Pyrophosphatedetails