5-Methyltetrahydrofolic acid

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Systematic / IUPAC Name: (2S)-2-[(4-{[(6S)-2-Amino-5-methyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino}benzoyl)amino]pentanedioic acid

ID: Reference262

Other Names: 5-Methyltetrahydrofolate;
[(6S)-5-Methyl-5,6,7,8-tetrahydropteroyl]glutamate;
N-(5-Methyl-5,6,7,8-tetrahydropteroyl)-L-glutamic acid;
5-Methyl-5,6,7,8-tetrahydrofolic acid;
Levomefolic acid

Formula: C20H25N7O6

Class: Endogenous Metabolites

Spectral Data

5-Methyltetrahydrofolic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 2
No. of Spectra 422
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI
Analyzers FT
Last Modification 10/11/2016 7:31:33 AM
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Identificators

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
InChI Key ZNOVTXRBGFNYRX-STQMWFEESA-N
Canonical SMILES O=C(O)C(NC(=O)c1ccc(cc1)NCC3N(/C2=C(/N/C(=N\C2=O)N)NC3)C)CCC(=O)O
CAS 134350
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Other Names 5-Methyltetrahydrofolate;
[(6S)-5-Methyl-5,6,7,8-tetrahydropteroyl]glutamate;
N-(5-Methyl-5,6,7,8-tetrahydropteroyl)-L-glutamic acid;
5-Methyl-5,6,7,8-tetrahydrofolic acid;
Levomefolic acid;
LMSR

In Other Databases

PubChem 444412
ChEBI CHEBI:15641
Wikipedia Levomefolic acid
KEGG D09353
ChEMBL CHEMBL1231574
ChemSpider 392351