Compound: tetrahydrofolic acid
SMILES: O=c1nc([nH]c2c1NC(CN2)CNc3ccc(C(=O)N[C@H](C(=O)O)CCC(=O)O)cc3)N
InChIKey: MSTNYGQPCMXVAQ-KIYNQFGBSA-N
Synonyms: tetrahydrofolic acid, Tetrahydropteroylglutamic acid, EINECS 205-181-1, 43ZWB253H4, DTXSID70897520, (-)-L-5,6,7,8-TETRAHYDROFOLIC ACID, TETRAHYDROFOLIC ACID [DSC], N-(4-(((2-Amino-1,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-L-glutamic acid, Glutamic acid, N-(p-(((2-amino-3,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-, L-, (2S)-2-[(4-{[(2-amino-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid, L-GLUTAMIC ACID, N-(4-(((2-AMINO-1,4,5,6,7,8-HEXAHYDRO-4-OXO-6-PTERIDINYL)METHYL)AMINO)BENZOYL)-, N-[4-[[(2-amino-1,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-L-glutamic acid, (2S)-2-((4-(((2-amino-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl)methyl)amino)phenyl)formamido)pentanedioic acid, 2-((4-((((6S)-2-amino-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl)methyl)amino)phenyl)formamido)pentanedioic acid, 2-((4-((((6S)-4-hydroxy-2-imino-5,6,7,8-tetrahydro-1H-pteridin-6-yl)methyl)amino)phenyl)formamido)pentanedioic acid, 2-{[4-({[(6S)-2-amino-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]formamido}pentanedioic acid, 2-{[4-({[(6S)-4-hydroxy-2-imino-5,6,7,8-tetrahydro-1H-pteridin-6-yl]methyl}amino)phenyl]formamido}pentanedioic acid, L-glutamic acid, N-[4-[[(2-amino-1,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-, tetrahydrofolic acids, RefChem:897167, 5,6,7,8Tetrahydrofolic acid, CHEBI:26907, DTXCID401326875, 5,6,7,8TetrahydropteroylLglutamic acid, Glutamic acid, N(p(((2amino3,4,5,6,7,8hexahydro4oxo6pteridinyl)methyl)amino)benzoyl), L, N(4(((2Amino1,4,5,6,7,8hexahydro4oxo6pteridinyl)methyl)amino)benzoyl)Lglutamic acid, 135-16-0, tetrahydrofolate, L-Tetrahydrofolic Acid, (2S)-2-(4-(((2-Amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)methyl)amino)benzamido)pentanedioic acid, MFCD00135583, (6S)-tetrahydrofolate, C19H23N7O6, CHEMBL2021342, N-[4-[[(2-Amino-3,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-L-glutamic Acid, (2S)-2-[[4-[(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid, L-Tetrahydrofolic Acid (>70% when packaged), tetrahydrofolyl-(L-Glu)n, UNII-43ZWB253H4, TETRAHYDROFOLICACID, SCHEMBL82453, (2S)-2-[[4-[(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid, CHEMBL91866, GTPL4675, orb1705104, orb3141013, SCHEMBL4535491, CHEBI:68512, BDBM50022833, BDBM50635017, MSK001493, AKOS022174895, AKOS040744825, (2S)-5,6,7,8-tetrahydrofolic acid, DB00116, DS-7498, AC-31120, FT165435, HY-14520, N-[4-{[(2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}benzoyl]-L-glutamic acid, SY115906, CS-0003422, 5,6,7,8-Tetrahydropteroyl-L-glutamic acid, THF, BRD-A36978621-001-01-9, Q53668656, Tetrahydrofolic acid, >=65% (when packaged), powder, (S)-2-{4-[(2-Amino-4-oxo-1,4,5,6,7,8-hexahydro-pteridin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid, 2-{4-[(2-Amino-4-oxo-1,4,5,6,7,8-hexahydro-pteridin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid, L-Glutamic acid, N-(4-(((2-amino-1,4,5,6,7,8-hexahydro-4-oxopteridinyl)methyl)amino)benzoyl)-, L-Glutamic acid, N-[4-[[(2-amino-3,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-, N-(4-{[(2-Amino-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}benzoyl)-L-glutamic acid
Theoretical properties:
molecular_formula: C19H23N7O6
molecular_weight: 445.4 g/mol
exact_mass: 445.17098148 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 8
hydrogen_bond_acceptor_count: 10
rotatable_bond_count: 9
heavy_atom_count: 32
topological_polar_surface_area: 207 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: 5,6,7,8-tetrahydrofolic acid is a tetrahydrofolic acid. It has a role as a Saccharomyces cerevisiae metabolite. It is a conjugate acid of a 5,6,7,8-tetrahydrofolate(2-).
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Tetrahydrofolic acid (THFA), or tetrahydrofolate, is a folic acid derivative.