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CHEBI:134470 - 5-methyldihydrofolic acid

ChEBI IDCHEBI:134470
ChEBI Name5-methyldihydrofolic acid
Stars
DefinitionA member of the class of dihydrofolic acids that is dihydrofolic acid carrying a methyl substituent at position 5.
Last Modified30 June 2017
SubmitterKeeva
DownloadsMolfile
FormulaC20H23N7O6
Net Charge0
Average Mass457.447
Monoisotopic Mass457.17098
SMILESCN1C(CNc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)=CNc2nc(N)nc(=O)c21
InChIInChI=1S/C20H23N7O6/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/h2-5,9,13,22H,6-8H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)/t13-/m0/s1
InChIKeyVWNDXSYYCICZGD-ZDUSSCGKSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) - MetaboLights (MTBLS313)
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS313)
Homo sapiens (ncbitaxon:9606) - PubMed (405403)
Roles Classification
Biological Roles:
rat metabolite  Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
water-soluble vitamin (role)  Any vitamin that dissolves in water and readily absorbed into tissues for immediate use. Unlike the fat-soluble vitamins, they are not stored in the body and need to be replenished regularly in the diet and will rarely accumulate to toxic levels since they are quickly excreted from the body via urine.
Application:
nutraceutical  A product in capsule, tablet or liquid form that provide essential nutrients, such as a vitamin, an essential mineral, a protein, an herb, or similar nutritional substance.
ChEBI Ontology
Outgoing Relation(s)
5-methyldihydrofolic acid (CHEBI:134470) has role human xenobiotic metabolite (CHEBI:76967)
5-methyldihydrofolic acid (CHEBI:134470) has role mouse metabolite (CHEBI:75771)
5-methyldihydrofolic acid (CHEBI:134470) has role rat metabolite (CHEBI:86264)
5-methyldihydrofolic acid (CHEBI:134470) is a dihydrofolic acids (CHEBI:23743)
IUPAC Name 
N-(4-{[(2-amino-5-methyl-4-oxo-1,4,5,8-tetrahydropteridin-6-yl)methyl]amino}benzoyl)-L-glutamic acid
Synonyms  Source
(2S)-2-[(4-{[(2-amino-5-methyl-4-oxo-1,4,5,8-tetrahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acidHMDB
5-Methyl-5,8-dihydrofolic acidHMDB
5-MethyldihydrofolateChemIDplus
Manual XrefsDatabases
HMDB0006486HMDB
Registry NumbersSources
CAS:59904-24-4ChemIDplus
Citations