RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0135886
RefMet nameFolic acid
Systematic name(2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid
SynonymsPubChem Synonyms
Exact mass441.139683 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC19H19N7O6View other entries in RefMet with this formula
Molecular descriptors
Molfile37083 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H
,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1
InChIKeyOVBPIULPVIDEAO-LBPRGKRZSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESc1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc1cnc2c(c(=O)[nH]c(N)n2)n1
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassOrganoheterocyclic compounds
Main ClassPterins
Sub ClassFolic acids
Distribution of Folic acid in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting Folic acid
External Links
Pubchem CID135398658
ChEBI ID27470
KEGG IDC00504
HMDB IDHMDB0000121
Chemspider ID5815
MetaCyc IDCPD-12826
EPA CompToxDTXCID90204439
Spectral data for Folic acid standards
BMRB ID(NMR)View NMR spectra
NP-MRD ID(NMR)View NMR spectra
MassBank(EU)View MS spectra
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Folic acid

Rxn IDKEGG ReactionEnzyme
R00937 Tetrahydrofolate + 2 NAD+ <=> Folate + 2 NADH + 2 H+5,6,7,8-tetrahydrofolate:NAD+ oxidoreductase
R00940 Tetrahydrofolate + 2 NADP+ <=> Folate + 2 NADPH + 2 H+5,6,7,8-tetrahydrofolate:NADP+ oxidoreductase
R02235 Dihydrofolate + NAD+ <=> Folate + NADH + H+dihydrofolate:NAD+ oxidoreductase
R02236 Dihydrofolate + NADP+ <=> Folate + NADPH + H+dihydrofolate:NADP+ oxidoreductase

Table of KEGG human pathways containing Folic acid

Pathway IDHuman Pathway# of reactions
hsa00670 One carbon pool by folate 4
hsa00790 Folate biosynthesis 4
hsa01100 Metabolic pathways 4
hsa01240 Biosynthesis of cofactors 4
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