2.0 2012-08-09 09:16:17 -0600 2015-06-03 17:21:32 -0600 ECMDB21452 M2MDB001847 Dihydroneopterin phosphate Dihydroneopterin phosphate is involved in the folate biosynthesis pathway. Dihydroneopterin phosphate is produced from 2-Amino-4-hydroxy-6-(erythro-1,2,3-trihydroxypropyl)dihydropteridine triphosphate by [E3.6.1.-] or nudB in E. coli. Dihydroneopterin phosphate is then converted to Dihydroneopterin by [E3.6.1.-]. 2-Amino-4-hydroxy-6-(erythro-1,2,3-trihydroxypropyl)dihydropteridine phosphate 2-amino-4-Hydroxy-6-(erythro-1,2,3-trihydroxypropyl)dihydropteridine phosphoric acid 7,8-Dihydro-D-neopterin 3'-phosphate 7,8-dihydro-D-Neopterin 3'-phosphoric acid DHNPMP Dihydroneopterin 3'-monophosphate Dihydroneopterin 3'-monophosphoric acid Dihydroneopterin 3'-phosphate Dihydroneopterin 3'-phosphoric acid Dihydroneopterin phosphoric acid Dihydroneopterin-P C9H14N5O7P 335.2105 335.063084339 [(2R,3S)-3-(2-amino-4-oxo-1,4,7,8-tetrahydropteridin-6-yl)-2,3-dihydroxypropoxy]phosphonic acid (2R,3S)-3-(2-amino-4-oxo-7,8-dihydro-1H-pteridin-6-yl)-2,3-dihydroxypropoxyphosphonic acid NC1=NC2=C(N=C(CN2)[C@H](O)[C@H](O)COP(O)(O)=O)C(=O)N1 InChI=1S/C9H14N5O7P/c10-9-13-7-5(8(17)14-9)12-3(1-11-7)6(16)4(15)2-21-22(18,19)20/h4,6,15-16H,1-2H2,(H2,18,19,20)(H4,10,11,13,14,17)/t4-,6+/m1/s1 PLSQMGZYOGSOCE-XINAWCOVSA-N Solid Cytoplasm logp -2.30 ALOGPS logs -1.80 ALOGPS solubility 5.26e+00 g/l ALOGPS logp -3.6 ChemAxon pka_strongest_acidic 1.51 ChemAxon pka_strongest_basic 0.18 ChemAxon iupac [(2R,3S)-3-(2-amino-4-oxo-1,4,7,8-tetrahydropteridin-6-yl)-2,3-dihydroxypropoxy]phosphonic acid ChemAxon average_mass 335.2105 ChemAxon mono_mass 335.063084339 ChemAxon smiles NC1=NC2=C(N=C(CN2)[C@H](O)[C@H](O)COP(O)(O)=O)C(=O)N1 ChemAxon formula C9H14N5O7P ChemAxon inchi InChI=1S/C9H14N5O7P/c10-9-13-7-5(8(17)14-9)12-3(1-11-7)6(16)4(15)2-21-22(18,19)20/h4,6,15-16H,1-2H2,(H2,18,19,20)(H4,10,11,13,14,17)/t4-,6+/m1/s1 ChemAxon inchikey PLSQMGZYOGSOCE-XINAWCOVSA-N ChemAxon polar_surface_area 199.09 ChemAxon refractivity 80.53 ChemAxon polarizability 28.71 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 11 ChemAxon donor_count 7 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 3256 Specdb::CMs 39105 Specdb::CMs 164989 Specdb::NmrOneD 91772 Specdb::NmrOneD 91773 Specdb::NmrOneD 91774 Specdb::NmrOneD 91775 Specdb::NmrOneD 91776 Specdb::NmrOneD 91777 Specdb::NmrOneD 91778 Specdb::NmrOneD 91779 Specdb::NmrOneD 91780 Specdb::NmrOneD 91781 Specdb::NmrOneD 91782 Specdb::NmrOneD 91783 Specdb::NmrOneD 91784 Specdb::NmrOneD 91785 Specdb::NmrOneD 91786 Specdb::NmrOneD 91787 Specdb::NmrOneD 91788 Specdb::NmrOneD 91789 Specdb::NmrOneD 91790 Specdb::NmrOneD 91791 Specdb::MsMs 26294 Specdb::MsMs 26295 Specdb::MsMs 26296 Specdb::MsMs 32852 Specdb::MsMs 32853 Specdb::MsMs 32854 Specdb::MsMs 2739649 Specdb::MsMs 2739650 Specdb::MsMs 2739651 Specdb::MsMs 2938680 Specdb::MsMs 2938681 Specdb::MsMs 2938682 HMDB06824 21865614 C05925 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 triphosphate pyrophosphatase P0AFC0 NUDB_ECOLI nudB http://ecmdb.ca/proteins/P0AFC0.xml