2.0 2012-08-09 09:25:06 -0600 2015-06-03 17:21:37 -0600 ECMDB21485 M2MDB001880 2-Amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine 2-amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine is a member of the chemical class known as Pterins and Derivatives. These are polycyclic aromatic compounds containing a pterin moeity, which consist of a pteridine ring bearing a ketone and an amine group to form 2-aminopteridin-4(3H)-one. 2-amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine is invovled in Folate biosynthesis. (KEGG) 2-Amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine 2-Amino-6-(hydroxymethyl)-7,8-dihydropteridin-4-ol HMeDHP C7H9N5O2 195.1787 195.075624557 2-amino-6-(hydroxymethyl)-3,4,7,8-tetrahydropteridin-4-one 2-amino-6-(hydroxymethyl)-7,8-dihydro-3H-pteridin-4-one 3672-03-5 NC1=NC2=C(N=C(CO)CN2)C(=O)N1 InChI=1S/C7H9N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h13H,1-2H2,(H4,8,9,11,12,14) CQQNNQTXUGLUEV-UHFFFAOYSA-N Cytoplasm logp -1.69 ALOGPS logs -1.90 ALOGPS solubility 2.47e+00 g/l ALOGPS logp -1.9 ChemAxon pka_strongest_acidic 7.62 ChemAxon pka_strongest_basic 0.76 ChemAxon iupac 2-amino-6-(hydroxymethyl)-3,4,7,8-tetrahydropteridin-4-one ChemAxon average_mass 195.1787 ChemAxon mono_mass 195.075624557 ChemAxon smiles NC1=NC2=C(N=C(CO)CN2)C(=O)N1 ChemAxon formula C7H9N5O2 ChemAxon inchi InChI=1S/C7H9N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h13H,1-2H2,(H4,8,9,11,12,14) ChemAxon inchikey CQQNNQTXUGLUEV-UHFFFAOYSA-N ChemAxon polar_surface_area 112.1 ChemAxon refractivity 57.86 ChemAxon polarizability 18.4 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 2430 Specdb::NmrOneD 318611 Specdb::NmrOneD 318612 Specdb::NmrOneD 318613 Specdb::NmrOneD 318614 Specdb::NmrOneD 318615 Specdb::NmrOneD 318616 Specdb::NmrOneD 318617 Specdb::NmrOneD 318618 Specdb::NmrOneD 318619 Specdb::NmrOneD 318620 Specdb::NmrOneD 318621 Specdb::NmrOneD 318622 Specdb::NmrOneD 318623 Specdb::NmrOneD 318624 Specdb::NmrOneD 318625 Specdb::NmrOneD 318626 Specdb::NmrOneD 318627 Specdb::NmrOneD 318628 Specdb::NmrOneD 318629 Specdb::NmrOneD 318630 Specdb::MsMs 20069 Specdb::MsMs 20070 Specdb::MsMs 20071 Specdb::MsMs 21620 Specdb::MsMs 21621 Specdb::MsMs 21622 Specdb::MsMs 3608275 Specdb::MsMs 3608276 Specdb::MsMs 3608277 Specdb::MsMs 3608278 Specdb::MsMs 3608279 Specdb::MsMs 3608280 218 213 C01300 17083 PH2 van der Werf, M. J., Overkamp, K. M., Muilwijk, B., Coulier, L., Hankemeier, T. (2007). "Microbial metabolomics: toward a platform with full metabolome coverage." Anal Biochem 370:17-25. 17765195 Dihydroneopterin aldolase P0AC16 FOLB_ECOLI folB http://ecmdb.ca/proteins/P0AC16.xml