Metabolite 5-Methyltetrahydrofolate
- Name
- 5-Methyltetrahydrofolate
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 459.4558
Monoisotopic: 459.186631567 - Chemical Formula
- C20H25N7O6
- InChI Key
- ZNOVTXRBGFNYRX-ZGTCLIOFSA-N
- InChI
- InChI=1S/C20H25N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)/t12?,13-/m1/s1
- IUPAC Name
- (2R)-2-[(4-{[(2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid
- SMILES
- CN1C(CNC2=CC=C(C=C2)C(=O)N[C@H](CCC(O)=O)C(O)=O)CNC2=C1C(=O)NC(N)=N2
- Reactions
- Leucovorin 5-Methyltetrahydrofolate
- Levoleucovorin 5-Methyltetrahydrofolate
- Folic acid Dihydrofolate (DHF) and Tetrahydrofolic acid
- Tetrahydrofolic acid 5,10-methylene tetrahydrofolate (THF)
- 5,10-methylene tetrahydrofolate (THF) 5-Methyltetrahydrofolate
- 5-Methyltetrahydrofolate Methionine
- 5,10-methylene tetrahydrofolate (THF) 5-Methyltetrahydrofolate
- Tetrahydrofolic acid 5,10-methylene tetrahydrofolate (THF)
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 237.1440067 predictedDarkChem Lite v0.1.0 [M-H]- 235.6380067 predictedDarkChem Lite v0.1.0 [M-H]- 194.6541 predictedDeepCCS 1.0 (2019) [M+H]+ 238.5487067 predictedDarkChem Lite v0.1.0 [M+H]+ 200.3926108 predictedDarkChem Standard v0.1.0 [M+H]+ 197.04967 predictedDeepCCS 1.0 (2019) [M+Na]+ 237.8835067 predictedDarkChem Lite v0.1.0 [M+Na]+ 236.3156067 predictedDarkChem Lite v0.1.0 [M+Na]+ 202.9622 predictedDeepCCS 1.0 (2019) - External Links
- Human Metabolome Database
- HMDB0001396
- KEGG Compound
- C00440
- ChemSpider
- 388371
- ChEBI
- 182992
- Wikipedia
- Levomefolic_acid
- Predicted Properties
Property Value Source Water Solubility 0.346 mg/mL ALOGPS logP -1.3 ALOGPS logP -1.5 Chemaxon logS -3.1 ALOGPS pKa (Strongest Acidic) 3.48 Chemaxon pKa (Strongest Basic) 2.82 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 11 Chemaxon Hydrogen Donor Count 7 Chemaxon Polar Surface Area 198.48 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 126.88 m3·mol-1 Chemaxon Polarizability 46.12 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon