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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2017-03-23 04:46:30 UTC
Update Date2022-03-07 03:17:57 UTC
HMDB IDHMDB0062623
Secondary Accession Numbers
  • HMDB62623
Metabolite Identification
Common Name(6R)-5,10-methenyltetrahydrofolate
Description5,10-methenyltetrahydrofolate mono-L-glutamate, also known as 5,10-methenyltetrahydrofolic acid, belongs to the class of organic compounds known as tetrahydrofolic acids. These are heterocyclic compounds based on the 5,6,7,8-tetrahydropteroic acid skeleton conjugated with at least one L-glutamic acid unit. 5,10-methenyltetrahydrofolate mono-L-glutamate is an extremely weak basic (essentially neutral) compound (based on its pKa). A dicarboxylic acid anion arising from deprotonation of both carboxylic acid functions of (6R)-5,10-methenyltetrahydrofolic acid.
Structure
Data?1563866338
Synonyms
ValueSource
5,10-MethenyltetrahydrofolateChEBI
5,10-Methenyltetrahydrofolic acidGenerator
5,10-Methenyltetrahydrofolic acid mono-L-glutamic acidGenerator
AnhydroleucovorinMeSH, HMDB
5,10-MethenyltetrahydropteroylglutamateMeSH, HMDB
N5,N10-Methenyl tetrahydrofolateMeSH, HMDB
(6R)-5,10-Methenyltetrahydrofolic acidGenerator
Chemical FormulaC20H20N7O6
Average Molecular Weight454.424
Monoisotopic Molecular Weight454.148054972
IUPAC Name(6aR)-3-amino-8-(4-{[(1S)-1,3-dicarboxypropyl]carbamoyl}phenyl)-1-oxo-1H,2H,5H,6H,6aH,7H,8H-10lambda5-imidazo[1,5-f]pteridin-10-ylium
Traditional Name(6aR)-3-amino-8-(4-{[(1S)-1,3-dicarboxypropyl]carbamoyl}phenyl)-1-oxo-2H,5H,6H,6aH,7H-10lambda5-imidazo[1,5-f]pteridin-10-ylium
CAS Registry NumberNot Available
SMILES
[H][C@@]12CN(C=[N+]1C1=C(NC2)N=C(N)NC1=O)C1=CC=C(C=C1)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O
InChI Identifier
InChI=1S/C20H21N7O6/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29/h1-4,9,12-13H,5-8H2,(H6-,21,22,23,24,25,28,29,30,31,32,33)/p-1/t12-,13+/m1/s1
InChI KeyMEANFMOQMXYMCT-OLZOCXBDSA-M
Chemical Taxonomy
Description Belongs to the class of organic compounds known as tetrahydrofolic acids. These are heterocyclic compounds based on the 5,6,7,8-tetrahydropteroic acid skeleton conjugated with at least one L-glutamic acid unit.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassPteridines and derivatives
Sub ClassPterins and derivatives
Direct ParentTetrahydrofolic acids
Alternative Parents
Substituents
  • Tetrahydrofolic acid
  • Glutamic acid or derivatives
  • N-acyl-alpha amino acid or derivatives
  • N-acyl-alpha-amino acid
  • Hippuric acid
  • Hippuric acid or derivatives
  • Alpha-amino acid or derivatives
  • Benzamide
  • Benzoic acid or derivatives
  • Aniline or substituted anilines
  • Benzoyl
  • Pyrimidone
  • Secondary aliphatic/aromatic amine
  • Aminopyrimidine
  • Monocyclic benzene moiety
  • Benzenoid
  • Pyrimidine
  • Dicarboxylic acid or derivatives
  • 2-imidazoline
  • Heteroaromatic compound
  • Vinylogous amide
  • Carboxamide group
  • Carboxylic acid salt
  • Amino acid
  • Amino acid or derivatives
  • Secondary carboxylic acid amide
  • Carboxylic acid amidine
  • Azacycle
  • Carboxylic acid derivative
  • Amidine
  • Carboxylic acid
  • Secondary amine
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organonitrogen compound
  • Organooxygen compound
  • Carbonyl group
  • Primary amine
  • Organic salt
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Amine
  • Organic anion
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Disposition

Source

Route of exposure

Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.16 g/lALOGPS
LogP-0.94ALOGPS
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP-1ALOGPS
logP-4.6ChemAxon
logS-3.3ALOGPS
pKa (Strongest Acidic)3.21ChemAxon
pKa (Strongest Basic)-0.92ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area195.12 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity156.05 m³·mol⁻¹ChemAxon
Polarizability44.98 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M-2H]-232.48130932474
DeepCCS[M+Na]+208.08330932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
(6R)-5,10-methenyltetrahydrofolate[H][C@@]12CN(C=[N+]1C1=C(NC2)N=C(N)NC1=O)C1=CC=C(C=C1)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O5368.4Standard polar33892256
(6R)-5,10-methenyltetrahydrofolate[H][C@@]12CN(C=[N+]1C1=C(NC2)N=C(N)NC1=O)C1=CC=C(C=C1)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O4818.0Standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate[H][C@@]12CN(C=[N+]1C1=C(NC2)N=C(N)NC1=O)C1=CC=C(C=C1)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O5210.7Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
(6R)-5,10-methenyltetrahydrofolate,1TMS,isomer #1C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)[N+]1=CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C[C@H]1CN24749.8Semi standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,1TMS,isomer #1C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)[N+]1=CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C[C@H]1CN24666.4Standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,1TMS,isomer #1C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)[N+]1=CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C[C@H]1CN26561.4Standard polar33892256
(6R)-5,10-methenyltetrahydrofolate,1TMS,isomer #2C[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C=[N+]2C2=C1N=C(N)[NH]C2=O4565.1Semi standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,1TMS,isomer #2C[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C=[N+]2C2=C1N=C(N)[NH]C2=O4578.2Standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,1TMS,isomer #2C[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C=[N+]2C2=C1N=C(N)[NH]C2=O6314.7Standard polar33892256
(6R)-5,10-methenyltetrahydrofolate,1TMS,isomer #3C[Si](C)(C)N1C(N)=NC2=C(C1=O)[N+]1=CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C[C@H]1CN24690.5Semi standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,1TMS,isomer #3C[Si](C)(C)N1C(N)=NC2=C(C1=O)[N+]1=CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C[C@H]1CN24575.5Standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,1TMS,isomer #3C[Si](C)(C)N1C(N)=NC2=C(C1=O)[N+]1=CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C[C@H]1CN26589.1Standard polar33892256
(6R)-5,10-methenyltetrahydrofolate,1TMS,isomer #4C[Si](C)(C)N(C(=O)C1=CC=C(N2C=[N+]3C4=C(N=C(N)[NH]C4=O)NC[C@@H]3C2)C=C1)[C@@H](CCC(=O)[O-])C(=O)[O-]4591.0Semi standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,1TMS,isomer #4C[Si](C)(C)N(C(=O)C1=CC=C(N2C=[N+]3C4=C(N=C(N)[NH]C4=O)NC[C@@H]3C2)C=C1)[C@@H](CCC(=O)[O-])C(=O)[O-]4424.1Standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,1TMS,isomer #4C[Si](C)(C)N(C(=O)C1=CC=C(N2C=[N+]3C4=C(N=C(N)[NH]C4=O)NC[C@@H]3C2)C=C1)[C@@H](CCC(=O)[O-])C(=O)[O-]6487.9Standard polar33892256
(6R)-5,10-methenyltetrahydrofolate,2TMS,isomer #1C[Si](C)(C)N(C1=NC2=C(C(=O)[NH]1)[N+]1=CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C[C@H]1CN2)[Si](C)(C)C4721.7Semi standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,2TMS,isomer #1C[Si](C)(C)N(C1=NC2=C(C(=O)[NH]1)[N+]1=CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C[C@H]1CN2)[Si](C)(C)C4611.5Standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,2TMS,isomer #1C[Si](C)(C)N(C1=NC2=C(C(=O)[NH]1)[N+]1=CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C[C@H]1CN2)[Si](C)(C)C6302.1Standard polar33892256
(6R)-5,10-methenyltetrahydrofolate,2TMS,isomer #2C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)[N+]1=CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C[C@H]1CN24742.4Semi standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,2TMS,isomer #2C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)[N+]1=CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C[C@H]1CN24648.3Standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,2TMS,isomer #2C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)[N+]1=CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C[C@H]1CN26250.7Standard polar33892256
(6R)-5,10-methenyltetrahydrofolate,2TMS,isomer #3C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)[N+]1=CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)[O-])C(=O)[O-])[Si](C)(C)C)C=C3)C[C@H]1CN24640.7Semi standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,2TMS,isomer #3C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)[N+]1=CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)[O-])C(=O)[O-])[Si](C)(C)C)C=C3)C[C@H]1CN24523.3Standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,2TMS,isomer #3C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)[N+]1=CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)[O-])C(=O)[O-])[Si](C)(C)C)C=C3)C[C@H]1CN26274.4Standard polar33892256
(6R)-5,10-methenyltetrahydrofolate,2TMS,isomer #4C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)[N+]1=CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C[C@H]1CN2[Si](C)(C)C4600.8Semi standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,2TMS,isomer #4C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)[N+]1=CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C[C@H]1CN2[Si](C)(C)C4708.1Standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,2TMS,isomer #4C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)[N+]1=CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C[C@H]1CN2[Si](C)(C)C6048.7Standard polar33892256
(6R)-5,10-methenyltetrahydrofolate,2TMS,isomer #5C[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)[O-])C(=O)[O-])[Si](C)(C)C)C=C3)C=[N+]2C2=C1N=C(N)[NH]C2=O4417.0Semi standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,2TMS,isomer #5C[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)[O-])C(=O)[O-])[Si](C)(C)C)C=C3)C=[N+]2C2=C1N=C(N)[NH]C2=O4492.4Standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,2TMS,isomer #5C[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)[O-])C(=O)[O-])[Si](C)(C)C)C=C3)C=[N+]2C2=C1N=C(N)[NH]C2=O6040.6Standard polar33892256
(6R)-5,10-methenyltetrahydrofolate,2TMS,isomer #6C[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C=[N+]2C2=C1N=C(N)N([Si](C)(C)C)C2=O4588.4Semi standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,2TMS,isomer #6C[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C=[N+]2C2=C1N=C(N)N([Si](C)(C)C)C2=O4574.0Standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,2TMS,isomer #6C[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C=[N+]2C2=C1N=C(N)N([Si](C)(C)C)C2=O6204.2Standard polar33892256
(6R)-5,10-methenyltetrahydrofolate,2TMS,isomer #7C[Si](C)(C)N(C(=O)C1=CC=C(N2C=[N+]3C4=C(N=C(N)N([Si](C)(C)C)C4=O)NC[C@@H]3C2)C=C1)[C@@H](CCC(=O)[O-])C(=O)[O-]4590.4Semi standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,2TMS,isomer #7C[Si](C)(C)N(C(=O)C1=CC=C(N2C=[N+]3C4=C(N=C(N)N([Si](C)(C)C)C4=O)NC[C@@H]3C2)C=C1)[C@@H](CCC(=O)[O-])C(=O)[O-]4436.6Standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,2TMS,isomer #7C[Si](C)(C)N(C(=O)C1=CC=C(N2C=[N+]3C4=C(N=C(N)N([Si](C)(C)C)C4=O)NC[C@@H]3C2)C=C1)[C@@H](CCC(=O)[O-])C(=O)[O-]6331.7Standard polar33892256
(6R)-5,10-methenyltetrahydrofolate,3TMS,isomer #1C[Si](C)(C)N(C1=NC2=C(C(=O)N1[Si](C)(C)C)[N+]1=CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C[C@H]1CN2)[Si](C)(C)C4745.2Semi standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,3TMS,isomer #1C[Si](C)(C)N(C1=NC2=C(C(=O)N1[Si](C)(C)C)[N+]1=CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C[C@H]1CN2)[Si](C)(C)C4649.6Standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,3TMS,isomer #1C[Si](C)(C)N(C1=NC2=C(C(=O)N1[Si](C)(C)C)[N+]1=CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C[C@H]1CN2)[Si](C)(C)C5931.5Standard polar33892256
(6R)-5,10-methenyltetrahydrofolate,3TMS,isomer #2C[Si](C)(C)N(C(=O)C1=CC=C(N2C=[N+]3C4=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C4=O)NC[C@@H]3C2)C=C1)[C@@H](CCC(=O)[O-])C(=O)[O-]4591.2Semi standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,3TMS,isomer #2C[Si](C)(C)N(C(=O)C1=CC=C(N2C=[N+]3C4=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C4=O)NC[C@@H]3C2)C=C1)[C@@H](CCC(=O)[O-])C(=O)[O-]4507.4Standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,3TMS,isomer #2C[Si](C)(C)N(C(=O)C1=CC=C(N2C=[N+]3C4=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C4=O)NC[C@@H]3C2)C=C1)[C@@H](CCC(=O)[O-])C(=O)[O-]5949.5Standard polar33892256
(6R)-5,10-methenyltetrahydrofolate,3TMS,isomer #3C[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C=[N+]2C2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O4588.2Semi standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,3TMS,isomer #3C[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C=[N+]2C2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O4625.3Standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,3TMS,isomer #3C[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C=[N+]2C2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O5751.2Standard polar33892256
(6R)-5,10-methenyltetrahydrofolate,3TMS,isomer #4C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)[N+]1=CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)[O-])C(=O)[O-])[Si](C)(C)C)C=C3)C[C@H]1CN24603.9Semi standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,3TMS,isomer #4C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)[N+]1=CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)[O-])C(=O)[O-])[Si](C)(C)C)C=C3)C[C@H]1CN24542.0Standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,3TMS,isomer #4C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)[N+]1=CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)[O-])C(=O)[O-])[Si](C)(C)C)C=C3)C[C@H]1CN25886.8Standard polar33892256
(6R)-5,10-methenyltetrahydrofolate,3TMS,isomer #5C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)[N+]1=CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C[C@H]1CN2[Si](C)(C)C4615.4Semi standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,3TMS,isomer #5C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)[N+]1=CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C[C@H]1CN2[Si](C)(C)C4700.6Standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,3TMS,isomer #5C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)[N+]1=CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C[C@H]1CN2[Si](C)(C)C5709.8Standard polar33892256
(6R)-5,10-methenyltetrahydrofolate,3TMS,isomer #6C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)[N+]1=CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)[O-])C(=O)[O-])[Si](C)(C)C)C=C3)C[C@H]1CN2[Si](C)(C)C4449.2Semi standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,3TMS,isomer #6C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)[N+]1=CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)[O-])C(=O)[O-])[Si](C)(C)C)C=C3)C[C@H]1CN2[Si](C)(C)C4588.9Standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,3TMS,isomer #6C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)[N+]1=CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)[O-])C(=O)[O-])[Si](C)(C)C)C=C3)C[C@H]1CN2[Si](C)(C)C5706.6Standard polar33892256
(6R)-5,10-methenyltetrahydrofolate,3TMS,isomer #7C[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)[O-])C(=O)[O-])[Si](C)(C)C)C=C3)C=[N+]2C2=C1N=C(N)N([Si](C)(C)C)C2=O4454.5Semi standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,3TMS,isomer #7C[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)[O-])C(=O)[O-])[Si](C)(C)C)C=C3)C=[N+]2C2=C1N=C(N)N([Si](C)(C)C)C2=O4484.6Standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,3TMS,isomer #7C[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)[O-])C(=O)[O-])[Si](C)(C)C)C=C3)C=[N+]2C2=C1N=C(N)N([Si](C)(C)C)C2=O5927.4Standard polar33892256
(6R)-5,10-methenyltetrahydrofolate,4TMS,isomer #1C[Si](C)(C)N(C(=O)C1=CC=C(N2C=[N+]3C4=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C4=O)NC[C@@H]3C2)C=C1)[C@@H](CCC(=O)[O-])C(=O)[O-]4606.7Semi standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,4TMS,isomer #1C[Si](C)(C)N(C(=O)C1=CC=C(N2C=[N+]3C4=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C4=O)NC[C@@H]3C2)C=C1)[C@@H](CCC(=O)[O-])C(=O)[O-]4584.1Standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,4TMS,isomer #1C[Si](C)(C)N(C(=O)C1=CC=C(N2C=[N+]3C4=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C4=O)NC[C@@H]3C2)C=C1)[C@@H](CCC(=O)[O-])C(=O)[O-]5568.5Standard polar33892256
(6R)-5,10-methenyltetrahydrofolate,4TMS,isomer #2C[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C=[N+]2C2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O4632.5Semi standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,4TMS,isomer #2C[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C=[N+]2C2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O4682.6Standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,4TMS,isomer #2C[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C=[N+]2C2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O5413.8Standard polar33892256
(6R)-5,10-methenyltetrahydrofolate,4TMS,isomer #3C[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)[O-])C(=O)[O-])[Si](C)(C)C)C=C3)C=[N+]2C2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O4455.1Semi standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,4TMS,isomer #3C[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)[O-])C(=O)[O-])[Si](C)(C)C)C=C3)C=[N+]2C2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O4561.0Standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,4TMS,isomer #3C[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)[O-])C(=O)[O-])[Si](C)(C)C)C=C3)C=[N+]2C2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O5412.2Standard polar33892256
(6R)-5,10-methenyltetrahydrofolate,4TMS,isomer #4C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)[N+]1=CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)[O-])C(=O)[O-])[Si](C)(C)C)C=C3)C[C@H]1CN2[Si](C)(C)C4482.7Semi standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,4TMS,isomer #4C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)[N+]1=CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)[O-])C(=O)[O-])[Si](C)(C)C)C=C3)C[C@H]1CN2[Si](C)(C)C4618.1Standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,4TMS,isomer #4C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)[N+]1=CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)[O-])C(=O)[O-])[Si](C)(C)C)C=C3)C[C@H]1CN2[Si](C)(C)C5395.2Standard polar33892256
(6R)-5,10-methenyltetrahydrofolate,5TMS,isomer #1C[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)[O-])C(=O)[O-])[Si](C)(C)C)C=C3)C=[N+]2C2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O4518.4Semi standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,5TMS,isomer #1C[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)[O-])C(=O)[O-])[Si](C)(C)C)C=C3)C=[N+]2C2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O4632.5Standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,5TMS,isomer #1C[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)[O-])C(=O)[O-])[Si](C)(C)C)C=C3)C=[N+]2C2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O5140.3Standard polar33892256
(6R)-5,10-methenyltetrahydrofolate,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)[N+]1=CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C[C@H]1CN24976.4Semi standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)[N+]1=CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C[C@H]1CN24900.8Standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)[N+]1=CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C[C@H]1CN26498.8Standard polar33892256
(6R)-5,10-methenyltetrahydrofolate,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C=[N+]2C2=C1N=C(N)[NH]C2=O4848.3Semi standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C=[N+]2C2=C1N=C(N)[NH]C2=O4799.9Standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C=[N+]2C2=C1N=C(N)[NH]C2=O6340.9Standard polar33892256
(6R)-5,10-methenyltetrahydrofolate,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N1C(N)=NC2=C(C1=O)[N+]1=CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C[C@H]1CN24930.0Semi standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N1C(N)=NC2=C(C1=O)[N+]1=CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C[C@H]1CN24782.9Standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N1C(N)=NC2=C(C1=O)[N+]1=CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C[C@H]1CN26488.3Standard polar33892256
(6R)-5,10-methenyltetrahydrofolate,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(N2C=[N+]3C4=C(N=C(N)[NH]C4=O)NC[C@@H]3C2)C=C1)[C@@H](CCC(=O)[O-])C(=O)[O-]4858.9Semi standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(N2C=[N+]3C4=C(N=C(N)[NH]C4=O)NC[C@@H]3C2)C=C1)[C@@H](CCC(=O)[O-])C(=O)[O-]4673.2Standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(N2C=[N+]3C4=C(N=C(N)[NH]C4=O)NC[C@@H]3C2)C=C1)[C@@H](CCC(=O)[O-])C(=O)[O-]6422.6Standard polar33892256
(6R)-5,10-methenyltetrahydrofolate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(C1=NC2=C(C(=O)[NH]1)[N+]1=CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C[C@H]1CN2)[Si](C)(C)C(C)(C)C5129.1Semi standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(C1=NC2=C(C(=O)[NH]1)[N+]1=CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C[C@H]1CN2)[Si](C)(C)C(C)(C)C5037.7Standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(C1=NC2=C(C(=O)[NH]1)[N+]1=CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C[C@H]1CN2)[Si](C)(C)C(C)(C)C6179.7Standard polar33892256
(6R)-5,10-methenyltetrahydrofolate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C(C)(C)C)[N+]1=CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C[C@H]1CN25161.0Semi standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C(C)(C)C)[N+]1=CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C[C@H]1CN25088.9Standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C(C)(C)C)[N+]1=CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C[C@H]1CN26107.2Standard polar33892256
(6R)-5,10-methenyltetrahydrofolate,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)[N+]1=CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)[O-])C(=O)[O-])[Si](C)(C)C(C)(C)C)C=C3)C[C@H]1CN25047.4Semi standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)[N+]1=CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)[O-])C(=O)[O-])[Si](C)(C)C(C)(C)C)C=C3)C[C@H]1CN24964.8Standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)[N+]1=CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)[O-])C(=O)[O-])[Si](C)(C)C(C)(C)C)C=C3)C[C@H]1CN26156.8Standard polar33892256
(6R)-5,10-methenyltetrahydrofolate,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)[N+]1=CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C[C@H]1CN2[Si](C)(C)C(C)(C)C5034.5Semi standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)[N+]1=CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C[C@H]1CN2[Si](C)(C)C(C)(C)C5098.7Standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)[N+]1=CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C[C@H]1CN2[Si](C)(C)C(C)(C)C6002.7Standard polar33892256
(6R)-5,10-methenyltetrahydrofolate,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)[O-])C(=O)[O-])[Si](C)(C)C(C)(C)C)C=C3)C=[N+]2C2=C1N=C(N)[NH]C2=O4958.3Semi standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)[O-])C(=O)[O-])[Si](C)(C)C(C)(C)C)C=C3)C=[N+]2C2=C1N=C(N)[NH]C2=O4904.8Standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)[O-])C(=O)[O-])[Si](C)(C)C(C)(C)C)C=C3)C=[N+]2C2=C1N=C(N)[NH]C2=O6020.8Standard polar33892256
(6R)-5,10-methenyltetrahydrofolate,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C=[N+]2C2=C1N=C(N)N([Si](C)(C)C(C)(C)C)C2=O5090.3Semi standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C=[N+]2C2=C1N=C(N)N([Si](C)(C)C(C)(C)C)C2=O4974.7Standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C=[N+]2C2=C1N=C(N)N([Si](C)(C)C(C)(C)C)C2=O6136.9Standard polar33892256
(6R)-5,10-methenyltetrahydrofolate,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(N2C=[N+]3C4=C(N=C(N)N([Si](C)(C)C(C)(C)C)C4=O)NC[C@@H]3C2)C=C1)[C@@H](CCC(=O)[O-])C(=O)[O-]5087.1Semi standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(N2C=[N+]3C4=C(N=C(N)N([Si](C)(C)C(C)(C)C)C4=O)NC[C@@H]3C2)C=C1)[C@@H](CCC(=O)[O-])C(=O)[O-]4883.7Standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(N2C=[N+]3C4=C(N=C(N)N([Si](C)(C)C(C)(C)C)C4=O)NC[C@@H]3C2)C=C1)[C@@H](CCC(=O)[O-])C(=O)[O-]6202.6Standard polar33892256
(6R)-5,10-methenyltetrahydrofolate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(C1=NC2=C(C(=O)N1[Si](C)(C)C(C)(C)C)[N+]1=CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C[C@H]1CN2)[Si](C)(C)C(C)(C)C5272.9Semi standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(C1=NC2=C(C(=O)N1[Si](C)(C)C(C)(C)C)[N+]1=CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C[C@H]1CN2)[Si](C)(C)C(C)(C)C5321.7Standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(C1=NC2=C(C(=O)N1[Si](C)(C)C(C)(C)C)[N+]1=CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C[C@H]1CN2)[Si](C)(C)C(C)(C)C5788.3Standard polar33892256
(6R)-5,10-methenyltetrahydrofolate,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(N2C=[N+]3C4=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C4=O)NC[C@@H]3C2)C=C1)[C@@H](CCC(=O)[O-])C(=O)[O-]5187.3Semi standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(N2C=[N+]3C4=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C4=O)NC[C@@H]3C2)C=C1)[C@@H](CCC(=O)[O-])C(=O)[O-]5167.6Standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(N2C=[N+]3C4=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C4=O)NC[C@@H]3C2)C=C1)[C@@H](CCC(=O)[O-])C(=O)[O-]5808.5Standard polar33892256
(6R)-5,10-methenyltetrahydrofolate,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C=[N+]2C2=C1N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C2=O5172.9Semi standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C=[N+]2C2=C1N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C2=O5229.8Standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C=[N+]2C2=C1N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C2=O5674.1Standard polar33892256
(6R)-5,10-methenyltetrahydrofolate,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C(C)(C)C)[N+]1=CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)[O-])C(=O)[O-])[Si](C)(C)C(C)(C)C)C=C3)C[C@H]1CN25191.8Semi standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C(C)(C)C)[N+]1=CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)[O-])C(=O)[O-])[Si](C)(C)C(C)(C)C)C=C3)C[C@H]1CN25208.2Standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C(C)(C)C)[N+]1=CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)[O-])C(=O)[O-])[Si](C)(C)C(C)(C)C)C=C3)C[C@H]1CN25780.0Standard polar33892256
(6R)-5,10-methenyltetrahydrofolate,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C(C)(C)C)[N+]1=CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C[C@H]1CN2[Si](C)(C)C(C)(C)C5224.2Semi standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C(C)(C)C)[N+]1=CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C[C@H]1CN2[Si](C)(C)C(C)(C)C5302.9Standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C(C)(C)C)[N+]1=CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C[C@H]1CN2[Si](C)(C)C(C)(C)C5658.4Standard polar33892256
(6R)-5,10-methenyltetrahydrofolate,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)[N+]1=CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)[O-])C(=O)[O-])[Si](C)(C)C(C)(C)C)C=C3)C[C@H]1CN2[Si](C)(C)C(C)(C)C5061.0Semi standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)[N+]1=CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)[O-])C(=O)[O-])[Si](C)(C)C(C)(C)C)C=C3)C[C@H]1CN2[Si](C)(C)C(C)(C)C5186.3Standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)[N+]1=CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)[O-])C(=O)[O-])[Si](C)(C)C(C)(C)C)C=C3)C[C@H]1CN2[Si](C)(C)C(C)(C)C5678.1Standard polar33892256
(6R)-5,10-methenyltetrahydrofolate,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)[O-])C(=O)[O-])[Si](C)(C)C(C)(C)C)C=C3)C=[N+]2C2=C1N=C(N)N([Si](C)(C)C(C)(C)C)C2=O5175.0Semi standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)[O-])C(=O)[O-])[Si](C)(C)C(C)(C)C)C=C3)C=[N+]2C2=C1N=C(N)N([Si](C)(C)C(C)(C)C)C2=O5108.4Standard non polar33892256
(6R)-5,10-methenyltetrahydrofolate,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)[O-])C(=O)[O-])[Si](C)(C)C(C)(C)C)C=C3)C=[N+]2C2=C1N=C(N)N([Si](C)(C)C(C)(C)C)C2=O5878.6Standard polar33892256
Spectra

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (6R)-5,10-methenyltetrahydrofolate 10V, Positive-QTOFsplash10-0a4i-0000900000-81836bb5b51273ea27492016-09-14Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (6R)-5,10-methenyltetrahydrofolate 20V, Positive-QTOFsplash10-0a4i-0000900000-3d6f0cc11737cb7386a52016-09-14Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (6R)-5,10-methenyltetrahydrofolate 40V, Positive-QTOFsplash10-00xr-9321700000-9966faa730f76e4208202016-09-14Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (6R)-5,10-methenyltetrahydrofolate 10V, Negative-QTOFsplash10-0udi-0000900000-771201fa3c19f2ef181d2016-09-14Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (6R)-5,10-methenyltetrahydrofolate 20V, Negative-QTOFsplash10-0udi-1000900000-9c559e48f4a327d702482016-09-14Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (6R)-5,10-methenyltetrahydrofolate 40V, Negative-QTOFsplash10-0006-9310100000-67e603e06ffe67fbd9a62016-09-14Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (6R)-5,10-methenyltetrahydrofolate 10V, Negative-QTOFsplash10-0ue9-1006900000-307f48a198273c839b9a2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (6R)-5,10-methenyltetrahydrofolate 20V, Negative-QTOFsplash10-0gxc-3037900000-fdd8d4d98111bab0c8822021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (6R)-5,10-methenyltetrahydrofolate 40V, Negative-QTOFsplash10-000y-9142000000-1390d8c1c70bc823d1c62021-09-22Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 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, 1000 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, 200 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, 300 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, 400 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, 500 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, 600 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, 700 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, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C 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 IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI ID57455
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