1.0 2016-09-30 22:53:28 UTC 2020-05-21 16:29:04 UTC BMDB0002275 BMDB02275 7,8-Dihydroneopterin 2-Amino-4-hydroxy-6-(D-erythro-1',2',3'-trihydroxypropyl)-7,8-dihydropteridine 2-Amino-4-hydroxy-6-(D-erythro-1,2,3-trihydroxypropyl)-7,8-dihydropteridine 2-Amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]-7,8-dihydropteridin-4(1H)-one 2-Amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]-7,8-dihydropteridin-4(3H)-one 2-Amino-7,8-dihydro-6-(1,2,3-trihydroxypropyl)-4(1H)-pteridinone 7,8-Dihydro-D-erythro-neopterin 7,8-Dihydro-D-neopterin D-Erythro-7,8-dihydroneopterin Dihydroneopterin NPR 7,8-Dihydro-neopterin C9H13N5O4 255.2306 255.096753929 2-amino-6-(1,2,3-trihydroxypropyl)-1,4,7,8-tetrahydropteridin-4-one 2-amino-6-(1,2,3-trihydroxypropyl)-7,8-dihydro-1H-pteridin-4-one NC1=NC(=O)C2=C(NCC(=N2)C(O)C(O)CO)N1 InChI=1S/C9H13N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h4,6,15-17H,1-2H2,(H4,10,11,13,14,18) YQIFAMYNGGOTFB-UHFFFAOYSA-N belongs to the class of organic compounds known as biopterins and derivatives. These are coenzymes containing a 2-amino-pteridine-4-one derivative. They are mainly synthesized in several parts of the body, including the pineal gland. Organic compounds Organoheterocyclic compounds Pteridines and derivatives Pterins and derivatives Biopterins and derivatives Aminopyrimidines and derivatives Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Ketimines Organic oxides Organopnictogen compounds Polyols Primary alcohols Primary amines Propargyl-type 1,3-dipolar organic compounds Pyrimidones Secondary alcohols Secondary alkylarylamines Vinylogous amides Alcohol Amine Aminopyrimidine Aromatic heteropolycyclic compound Azacycle Biopterin Heteroaromatic compound Hydrocarbon derivative Imine Ketimine Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Polyol Primary alcohol Primary amine Propargyl-type 1,3-dipolar organic compound Pyrimidine Pyrimidone Secondary alcohol Secondary aliphatic/aromatic amine Secondary amine Vinylogous amide Aromatic heteropolycyclic compounds a small molecule Solid logp -1.59 ALOGPS logs -2.35 ALOGPS logp -3.3 ChemAxon pka_strongest_acidic 9.37 ChemAxon pka_strongest_basic 0.28 ChemAxon iupac 2-amino-6-(1,2,3-trihydroxypropyl)-1,4,7,8-tetrahydropteridin-4-one ChemAxon average_mass 255.2306 ChemAxon mono_mass 255.096753929 ChemAxon smiles NC1=NC(=O)C2=C(NCC(=N2)C(O)C(O)CO)N1 ChemAxon formula C9H13N5O4 ChemAxon inchi InChI=1S/C9H13N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h4,6,15-17H,1-2H2,(H4,10,11,13,14,18) ChemAxon inchikey YQIFAMYNGGOTFB-UHFFFAOYSA-N ChemAxon polar_surface_area 152.56 ChemAxon refractivity 69.66 ChemAxon polarizability 23.99 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 9 ChemAxon donor_count 6 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::NmrOneD 171021 Specdb::NmrOneD 171022 Specdb::NmrOneD 171023 Specdb::NmrOneD 171024 Specdb::NmrOneD 171025 Specdb::NmrOneD 171026 Specdb::NmrOneD 171027 Specdb::NmrOneD 171028 Specdb::NmrOneD 171029 Specdb::NmrOneD 171030 Specdb::NmrOneD 171031 Specdb::NmrOneD 171032 Specdb::NmrOneD 171033 Specdb::NmrOneD 171034 Specdb::NmrOneD 171035 Specdb::NmrOneD 171036 Specdb::NmrOneD 171037 Specdb::NmrOneD 171038 Specdb::NmrOneD 171039 Specdb::NmrOneD 171040 Specdb::CMs 9654 Specdb::CMs 38349 Specdb::CMs 118517 Specdb::CMs 122055 Specdb::CMs 809960 Specdb::CMs 809961 Specdb::CMs 809962 Specdb::CMs 809963 Specdb::MsMs 26318 Specdb::MsMs 26319 Specdb::MsMs 26320 Specdb::MsMs 32876 Specdb::MsMs 32877 Specdb::MsMs 32878 Specdb::MsMs 1475734 Specdb::MsMs 1475735 Specdb::MsMs 1475736 Specdb::MsMs 1475737 Specdb::MsMs 1475738 Specdb::MsMs 1475739 Specdb::MsMs 1475740 Specdb::MsMs 1475741 Specdb::MsMs 1475742 Specdb::MsMs 1475743 Specdb::MsMs 1475744 Specdb::MsMs 1475745 Specdb::MsMs 1475746 Specdb::MsMs 1475747 Specdb::MsMs 1475748 Specdb::MsMs 1475749 Specdb::MsMs 1475750 Specdb::MsMs 1475751 Specdb::MsMs 1475752 659 639 17001 FDB022940 C04874 6588 BMDBP00379 Sepiapterin reductase Q17QK8 SPR Enzyme BMDBP00602 Carbonyl reductase [NADPH] 1 Q3SZD7 CBR1 Enzyme BMDBP00821 Dihydrofolate reductase P00376 DHFR Enzyme