1.0 2016-09-30 22:50:40 UTC 2020-05-21 16:29:04 UTC BMDB0002065 BMDB02065 6-Lactoyltetrahydropterin 2-Amino-6-lactoyl-5,6,7,8-tetrahydropteridin-4(3H)-one 6-1'-oxo-2'-Hydroxypropyl tetrahydropterin 6-Lactoyl tetrahydropterin 6-Lactoyl-5,6,7,8-tetrahydropterin Lactoyl-H4-pterin Lactoyl-PH4 1'-oxo-2'-Hydroxypropyl-tetrahydropterin C9H13N5O3 239.2312 239.101839307 2-amino-6-(2-hydroxypropanoyl)-3,4,5,6,7,8-hexahydropteridin-4-one 6-lactoyl tetrahydropterin 33405-80-0 CC(O)C(=O)C1CNC2=C(N1)C(=O)NC(N)=N2 InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,12,15H,2H2,1H3,(H4,10,11,13,14,17) HKCYZTKHPLJZDR-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. Organic compounds Organoheterocyclic compounds Pteridines and derivatives Pterins and derivatives Pterins and derivatives 1,3-aminoalcohols Acyloins Alpha-amino ketones Alpha-hydroxy ketones Aminopyrimidines and derivatives Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Primary amines Pyrimidones Secondary alcohols Secondary alkylarylamines Vinylogous amides 1,3-aminoalcohol Acyloin Alcohol Alpha-aminoketone Alpha-hydroxy ketone Amine Aminopyrimidine Aromatic heteropolycyclic compound Azacycle Carbonyl group Heteroaromatic compound Hydrocarbon derivative Ketone Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary amine Pterin Pyrimidine Pyrimidone Secondary alcohol Secondary aliphatic/aromatic amine Secondary amine Vinylogous amide Aromatic heteropolycyclic compounds a small molecule tetrahydropterin Solid logp -1.55 ALOGPS logs -2.29 ALOGPS logp -1.7 ChemAxon pka_strongest_acidic 11.12 ChemAxon pka_strongest_basic 4.62 ChemAxon iupac 2-amino-6-(2-hydroxypropanoyl)-3,4,5,6,7,8-hexahydropteridin-4-one ChemAxon average_mass 239.2312 ChemAxon mono_mass 239.101839307 ChemAxon smiles CC(O)C(=O)C1CNC2=C(N1)C(=O)NC(N)=N2 ChemAxon formula C9H13N5O3 ChemAxon inchi InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,12,15H,2H2,1H3,(H4,10,11,13,14,17) ChemAxon inchikey HKCYZTKHPLJZDR-UHFFFAOYSA-N ChemAxon polar_surface_area 128.84 ChemAxon refractivity 67.87 ChemAxon polarizability 22.59 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Pterine Biosynthesis SMP0087250 Specdb::MsMs 315508 Specdb::MsMs 315509 Specdb::MsMs 315510 Specdb::MsMs 361513 Specdb::MsMs 361514 Specdb::MsMs 361515 Specdb::MsMs 2366923 Specdb::MsMs 2366924 Specdb::MsMs 2366925 Specdb::MsMs 2598223 Specdb::MsMs 2598224 Specdb::MsMs 2598225 Specdb::NmrOneD 10062 Specdb::NmrOneD 10063 Specdb::NmrOneD 10064 Specdb::NmrOneD 10065 Specdb::NmrOneD 10066 Specdb::NmrOneD 10067 Specdb::NmrOneD 10068 Specdb::NmrOneD 10069 Specdb::NmrOneD 10070 Specdb::NmrOneD 10071 Specdb::NmrOneD 10072 Specdb::NmrOneD 10073 Specdb::NmrOneD 10074 Specdb::NmrOneD 10075 Specdb::NmrOneD 10076 Specdb::NmrOneD 10077 Specdb::NmrOneD 10078 Specdb::NmrOneD 10079 Specdb::NmrOneD 10080 Specdb::NmrOneD 10081 Specdb::CMs 22301 Specdb::CMs 38252 Specdb::CMs 128509 Specdb::CMs 146450 Specdb::CMs 972220 Specdb::CMs 972221 Specdb::CMs 972222 Specdb::CMs 972223 Specdb::CMs 972224 Specdb::CMs 972225 Specdb::CMs 972226 Specdb::CMs 972227 Specdb::CMs 972228 Specdb::CMs 972229 Specdb::CMs 972230 Specdb::CMs 972231 Specdb::CMs 972232 FDB022828 148245 C04244 17248 BMDBP00379 Sepiapterin reductase Q17QK8 SPR Enzyme BMDBP00798 Aldo-keto reductase family 1 member B1 P16116 AKR1B1 Enzyme