1.0 2016-09-30 22:43:46 UTC 2020-04-22 15:07:31 UTC BMDB0001299 BMDB01299 5-Methylthioribulose 1-phosphate 5-S-Methyl-1-O-phosphono-5-thio-D-ribulose 5-(Methylsulfanyl)-D-ribulose 1-phosphate 5-(Methylsulfanyl)-D-ribulose 1-phosphoric acid 5-(Methylsulphanyl)-D-ribulose 1-phosphate 5-(Methylsulphanyl)-D-ribulose 1-phosphoric acid 5-Methylthioribulose 1-phosphoric acid 1-Phospho-5-S-methylthioribulose 1-Phosphomethylthioribulose 1PMT-Ribulose 5-Methylthio-2-ribulose-1-phosphate 5-Methylthio-5-deoxy-D-ribulose 1-phosphate 5-Methylthio-5-deoxy-D-ribulose-1-phosphate 5-Methylthioribulose-1-phosphate 5-S-Methyl-5-thio-D-erythro-pent-2-ulose 1-(dihydrogen phosphate) 5-S-Methyl-5-thio-D-ribulose 1-(dihydrogen phosphate) Methylthioribulose-1-phosphate MTRu-1-p S-Methyl-5-thio-D-ribulose 1-phosphate 1-PMT-Ribulose Methylthioribulose 1-phosphate 5-(Methylthio)ribulose 1-phosphate C6H13O7PS 260.202 260.011959972 {[(3R,4S)-3,4-dihydroxy-5-(methylsulfanyl)-2-oxopentyl]oxy}phosphonic acid methylthioribulose-1-phosphate 86316-83-8 CSC[C@@H](O)[C@@H](O)C(=O)COP(O)(O)=O InChI=1S/C6H13O7PS/c1-15-3-5(8)6(9)4(7)2-13-14(10,11)12/h5-6,8-9H,2-3H2,1H3,(H2,10,11,12)/t5-,6+/m1/s1 CNSJRYUMVMWNMC-RITPCOANSA-N belongs to the class of organic compounds known as glycerone phosphates. These are organic compounds containing a glycerone moiety that carries a phosphate group at the O-1 or O-2 position. Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Glycerone phosphates 1,2-diols Acyloins Alpha-hydroxy ketones Beta-hydroxy ketones Dialkylthioethers Hydrocarbon derivatives Monoalkyl phosphates Monosaccharides Organic oxides Secondary alcohols Sulfenyl compounds 1,2-diol Acyloin Alcohol Aliphatic acyclic compound Alkyl phosphate Alpha-hydroxy ketone Beta-hydroxy ketone Dialkylthioether Glycerone phosphate Hydrocarbon derivative Monoalkyl phosphate Monosaccharide Organic oxide Organic phosphoric acid derivative Organosulfur compound Phosphoric acid ester Secondary alcohol Sulfenyl compound Thioether Aliphatic acyclic compounds deoxyribulose phosphate Solid logp -0.43 ALOGPS logs -1.13 ALOGPS logp -1.3 ChemAxon pka_strongest_acidic 1.18 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac {[(3R,4S)-3,4-dihydroxy-5-(methylsulfanyl)-2-oxopentyl]oxy}phosphonic acid ChemAxon average_mass 260.202 ChemAxon mono_mass 260.011959972 ChemAxon smiles CSC[C@@H](O)[C@@H](O)C(=O)COP(O)(O)=O ChemAxon formula C6H13O7PS ChemAxon inchi InChI=1S/C6H13O7PS/c1-15-3-5(8)6(9)4(7)2-13-14(10,11)12/h5-6,8-9H,2-3H2,1H3,(H2,10,11,12)/t5-,6+/m1/s1 ChemAxon inchikey CNSJRYUMVMWNMC-RITPCOANSA-N ChemAxon polar_surface_area 124.29 ChemAxon refractivity 53.31 ChemAxon polarizability 22.59 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::NmrOneD 147250 Specdb::NmrOneD 147251 Specdb::NmrOneD 147252 Specdb::NmrOneD 147253 Specdb::NmrOneD 147254 Specdb::NmrOneD 147255 Specdb::NmrOneD 147256 Specdb::NmrOneD 147257 Specdb::NmrOneD 147258 Specdb::NmrOneD 147259 Specdb::NmrOneD 147260 Specdb::NmrOneD 147261 Specdb::NmrOneD 147262 Specdb::NmrOneD 147263 Specdb::NmrOneD 147264 Specdb::NmrOneD 147265 Specdb::NmrOneD 147266 Specdb::NmrOneD 147267 Specdb::NmrOneD 147268 Specdb::NmrOneD 147269 Specdb::CMs 3225 Specdb::CMs 38012 Specdb::CMs 172291 Specdb::MsMs 179715 Specdb::MsMs 179716 Specdb::MsMs 179717 Specdb::MsMs 182049 Specdb::MsMs 182050 Specdb::MsMs 182051 Specdb::MsMs 2368581 Specdb::MsMs 2368582 Specdb::MsMs 2368583 Specdb::MsMs 2566406 Specdb::MsMs 2566407 Specdb::MsMs 2566408 C04582 FDB022541 152225 174549 28096 CPD-1063 44103 6143 Imker, Heidi J.; Fedorov, Alexander A.; Fedorov, Elena V.; Almo, Steven C.; Gerlt, John A. Mechanistic Diversity in the RuBisCO Superfamily: The "Enolase" in the Methionine Salvage Pathway in Geobacillus kaustophilus. Biochemistry (2007), 46(13), 4077-4089. BMDBP01077 Methylthioribose-1-phosphate isomerase Q2NL31 MRI1 Enzyme