5-Methyltetrahydrofolic acid
PubChem CID: 135415868
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| Compound Synonyms | Prefolic A, 134-35-0, Methyl folate, 5-METHYLTETRAHYDROFOLIC ACID, 5-Methyltetrahydrofolate, TYK22LML8F, n5-methyltetrahydrofolic acid, (2S)-2-(4-(((2-Amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)methyl)amino)benzamido)pentanedioic acid, MEFOLIC ACID, n5-methyltetrahydrofolate, 5-methyl-tetrahydrofolate, N5-Methyltetrahydropteroylglutamate, 5-methyltetrahydropteroylglutamic acid, (S)-N-[4-[[(2-Amino-1,4,5,6,7,8-hexahydro-5-methyl-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-L-glutamic acid, 5-Methyltetrahydropteroylglutamate, 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, (2S)-2-[[4-[(2-amino-5-methyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid, 5-methyl-5,6,7,8-tetrahydropteroyl-L-glutamic acid, N5-Methyl-tetrahydrofolic acid, 5-Methyl THF, CH3-FH4, L-Glutamic acid, N-(4-(((2-amino-1,4,5,6,7,8-hexahydro-5-methyl-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-, UNII-TYK22LML8F, DTXSID4048278, 5-Methyl terahydrofolic acid, N(sup 5)-Methyltetrahydrofolate, 5-Methyltetrahydropteroyl monoglutamate, MFCD00900533, n-methyltetrahydrofolate, N-(5-methyl-5,6,7,8-tetrahydropteroyl)-L-glutamic acid, SCHEMBL4727836, CHEMBL1221561, DTXCID9028253, N(5)-methyl-tetrahydrofolic acid, ZNOVTXRBGFNYRX-ABLWVSNPSA-N, GLXC-10578, AKOS030242298, DB04789, FM16122, 5-METHYLTETRAHYDROFOLATE [WHO-DD], AS-77480, 5-METHYLTETRAHYDROFOLIC ACID [DSC], DB-229419, HY-113046, 5-Methyltetrahydrofolic acid, L-Methyl folate, CS-0059429, C90397, Q27290485, (2S)-2-(4-(((2-Amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)methyl)amino)benzamido)pentanedioicacid, (2S)-2-(4-((2-amino-5-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl)methylamino)benzamido)pentanedioic acid, (2S)-2-[[4-[(2-amino-5-methyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid, N-(4-(((2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)methyl)amino)benzoyl)-L-glutamic acid |
|---|---|
| Topological Polar Surface Area | 198.0 |
| Hydrogen Bond Donor Count | 7.0 |
| Heavy Atom Count | 33.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 865.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-[[4-[(2-amino-5-methyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid |
| Nih Violation | False |
| Prediction Hob | 0.0 |
| Xlogp | -0.5 |
| Is Pains | False |
| Molecular Formula | C20H25N7O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZNOVTXRBGFNYRX-ABLWVSNPSA-N |
| Fcsp3 | 0.35 |
| Rotatable Bond Count | 9.0 |
| Compound Name | 5-Methyltetrahydrofolic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 459.187 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 459.187 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 459.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3687615090909095 |
| 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-/m0/s1 |
| Smiles | CN1C(CNC2=C1C(=O)NC(=N2)N)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:cmaup_ingredients