1.02011-09-21 01:58:27 UTC2015-07-21 06:59:46 UTCFDB0296131-Hydroxy-2-oxopropyl tetrahydropterin1-hydroxy-2-Oxopropyl tetrahydropterin, an intermediate formed from 6-Pyrovoyl-Tetrahydropterin in the biosynthetic pathway of tetrahydrobiopterin [PMID: 19234759]. [HMDB]C9H13N5O3239.2312239.1018393072-amino-6-(1-hydroxy-2-oxopropyl)-3,4,5,6,7,8-hexahydropteridin-4-one2-amino-6-(1-hydroxy-2-oxopropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-oneCC(=O)C(O)C1CNC2=C(N1)C(=O)NC(N)=N2InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h4,6,12,16H,2H2,1H3,(H4,10,11,13,14,17)PSNIIJBQEZDDMR-UHFFFAOYSA-N belongs to the class of organic compounds known as pterins and derivatives. These are polycyclic aromatic compounds containing a pterin moiety, which consist of a pteridine ring bearing a ketone and an amine group to form 2-aminopteridin-4(3H)-one.Pterins and derivativesOrganic compoundsOrganoheterocyclic compoundsPteridines and derivativesPterins and derivativesAromatic heteropolycyclic compoundsAcyloinsAlpha-hydroxy ketonesAminopyrimidines and derivativesAzacyclic compoundsBeta-amino ketonesGamma-amino ketonesHeteroaromatic compoundsHydrocarbon derivativesOrganic oxidesOrganopnictogen compoundsPrimary aminesPyrimidonesSecondary alcoholsSecondary alkylarylaminesVinylogous amidesAcyloinAlcoholAlpha-hydroxy ketoneAmineAminopyrimidineAromatic heteropolycyclic compoundAzacycleBeta-aminoketoneCarbonyl groupGamma-aminoketoneHeteroaromatic compoundHydrocarbon derivativeKetoneOrganic nitrogen compoundOrganic oxideOrganic oxygen compoundOrganonitrogen compoundOrganooxygen compoundOrganopnictogen compoundPrimary aminePterinPyrimidinePyrimidoneSecondary alcoholSecondary aliphatic/aromatic amineSecondary amineVinylogous amideSolidlogp-1.58logs-2.28solubility1.25e+00 g/llogp-2.1pka_strongest_acidic7.82pka_strongest_basic1.83iupac2-amino-6-(1-hydroxy-2-oxopropyl)-3,4,5,6,7,8-hexahydropteridin-4-oneaverage_mass239.2312mono_mass239.101839307smilesCC(=O)C(O)C1CNC2=C(N1)C(=O)NC(N)=N2formulaC9H13N5O3inchiInChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h4,6,12,16H,2H2,1H3,(H4,10,11,13,14,17)inchikeyPSNIIJBQEZDDMR-UHFFFAOYSA-Npolar_surface_area128.84refractivity67.63polarizability22.72rotatable_bond_count2acceptor_count7donor_count5physiological_charge0formal_charge0Pterine BiosynthesisSMP00005map00790Specdb::CMs22879Specdb::CMs40146Specdb::CMs137509Specdb::CMs145243Specdb::MsMs316786Specdb::MsMs316787Specdb::MsMs316788Specdb::MsMs363145Specdb::MsMs363146Specdb::MsMs363147Specdb::MsMs2380536Specdb::MsMs2380537Specdb::MsMs2380538Specdb::MsMs2557773Specdb::MsMs2557774Specdb::MsMs2557775Specdb::NmrOneD99758Specdb::NmrOneD99759Specdb::NmrOneD99760Specdb::NmrOneD99761Specdb::NmrOneD99762Specdb::NmrOneD99763Specdb::NmrOneD99764Specdb::NmrOneD99765Specdb::NmrOneD99766Specdb::NmrOneD99767Specdb::NmrOneD99768Specdb::NmrOneD99769Specdb::NmrOneD99770Specdb::NmrOneD99771Specdb::NmrOneD99772Specdb::NmrOneD99773Specdb::NmrOneD99774Specdb::NmrOneD99775Specdb::NmrOneD99776Specdb::NmrOneD99777HMDB13642#<Reference:0x0000555675e844c0>Sepiapterin reductaseP35270SPR