1.0 2016-09-30 22:44:07 UTC 2020-05-21 16:27:10 UTC BMDB0001321 BMDB01321 D-Erythrose 4-phosphate 4-O-Phosphono-D-erythrose Erythose-4-phosphate D-Erythrose 4-phosphoric acid Erythose-4-phosphoric acid D-Erythrose 4-PO4 D-Erythrose-4-P D-Erythrose-4-phosphate Erythrose 4-phosphate Erythrose 4-PO4 Erythrose-4-P Erythrose-4-phosphate Erythrose-4P Threose 4-phosphate Erythrose 4-phosphate, (r*,r*)-isomer Erythrose 4-phosphate, ((r*,r*)-(+-))-isomer (2R,3R)-2,3-Dihydroxy-4-(phosphonooxy)butanal D-Erythrose 4-phosphate C4H9O7P 200.0838 200.008589154 [(2R,3R)-2,3-dihydroxy-4-oxobutoxy]phosphonic acid 4-O-phosphono-D-erythrose 585-18-2 O[C@H](COP(O)(O)=O)[C@@H](O)C=O InChI=1S/C4H9O7P/c5-1-3(6)4(7)2-11-12(8,9)10/h1,3-4,6-7H,2H2,(H2,8,9,10)/t3-,4+/m0/s1 NGHMDNPXVRFFGS-IUYQGCFVSA-N belongs to the class of organic compounds known as monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked to the carbohydrate unit. Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Monosaccharide phosphates 1,2-diols Alpha-hydroxyaldehydes Beta-hydroxy aldehydes Hydrocarbon derivatives Monoalkyl phosphates Organic oxides Secondary alcohols 1,2-diol Alcohol Aldehyde Aliphatic acyclic compound Alkyl phosphate Alpha-hydroxyaldehyde Beta-hydroxy aldehyde Carbonyl group Hydrocarbon derivative Monoalkyl phosphate Monosaccharide phosphate Organic oxide Organic phosphoric acid derivative Phosphoric acid ester Secondary alcohol Aliphatic acyclic compounds erythrose phosphate Solid logp -1.89 ALOGPS logs -0.93 ALOGPS logp -2.4 ChemAxon pka_strongest_acidic 1.48 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac [(2R,3R)-2,3-dihydroxy-4-oxobutoxy]phosphonic acid ChemAxon average_mass 200.0838 ChemAxon mono_mass 200.008589154 ChemAxon smiles O[C@H](COP(O)(O)=O)[C@@H](O)C=O ChemAxon formula C4H9O7P ChemAxon inchi InChI=1S/C4H9O7P/c5-1-3(6)4(7)2-11-12(8,9)10/h1,3-4,6-7H,2H2,(H2,8,9,10)/t3-,4+/m0/s1 ChemAxon inchikey NGHMDNPXVRFFGS-IUYQGCFVSA-N ChemAxon polar_surface_area 124.29 ChemAxon refractivity 36.29 ChemAxon polarizability 15.41 ChemAxon rotatable_bond_count 5 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 Pentose Phosphate Pathway SMP0087246 Warburg Effect SMP0087270 Specdb::CMs 1625 Specdb::CMs 1638 Specdb::CMs 3160 Specdb::CMs 31311 Specdb::CMs 31312 Specdb::CMs 32343 Specdb::CMs 32344 Specdb::CMs 38023 Specdb::CMs 160944 Specdb::MsIr 1197 Specdb::MsIr 1198 Specdb::MsIr 1199 Specdb::MsMs 27413 Specdb::MsMs 27414 Specdb::MsMs 27415 Specdb::MsMs 33971 Specdb::MsMs 33972 Specdb::MsMs 33973 Specdb::MsMs 439060 Specdb::MsMs 1473421 Specdb::MsMs 1473422 Specdb::MsMs 3052106 Specdb::MsMs 3052107 Specdb::MsMs 3052108 Specdb::MsMs 3114833 Specdb::MsMs 3114834 Specdb::MsMs 3114835 Specdb::NmrOneD 9182 Specdb::NmrOneD 9183 Specdb::NmrOneD 9184 Specdb::NmrOneD 9185 Specdb::NmrOneD 9186 Specdb::NmrOneD 9187 Specdb::NmrOneD 9188 Specdb::NmrOneD 9189 Specdb::NmrOneD 9190 Specdb::NmrOneD 9191 Specdb::NmrOneD 9192 Specdb::NmrOneD 9193 Specdb::NmrOneD 9194 Specdb::NmrOneD 9195 Specdb::NmrOneD 9196 Specdb::NmrOneD 9197 Specdb::NmrOneD 9198 Specdb::NmrOneD 9199 Specdb::NmrOneD 9200 Specdb::NmrOneD 9201 Mammary Gland 8 multiparous Chinese Holstein dairy cows fed in the Hangzhou Hangjiang Dairy Farm based on the milk production under corn stover based diets. Detection used gas chromatography time-of-flight/mass spectrometry (GC-TOF/MS) platform. Sun HZ, Zhou M, Wang O, Chen Y, Liu JX, Guan LL: Multi-omics reveals functional genomic and metabolic mechanisms of milk production and quality in dairy cows. Bioinformatics. 2020 Apr 15;36(8):2530-2537. doi: 10.1093/bioinformatics/btz951. 31873721 Mammary Gland 8 multiparous Chinese Holstein dairy cows fed in the Hangzhou Hangjiang Dairy Farm based on the milk production under alfalfa hay based diets. Detection used gas chromatography time-of-flight/mass spectrometry (GC-TOF/MS) platform. Sun HZ, Zhou M, Wang O, Chen Y, Liu JX, Guan LL: Multi-omics reveals functional genomic and metabolic mechanisms of milk production and quality in dairy cows. Bioinformatics. 2020 Apr 15;36(8):2530-2537. doi: 10.1093/bioinformatics/btz951. 31873721 C00279 109096 122357 DB03937 FDB001614 48153 C00007472 ERYTHROSE-4P 34479 Erythrose_4-phosphate 6158 BMDBP00103 Transaldolase Q2TBL6 TALDO1 Enzyme BMDBP00104 Transaldolase Q58DR3 TALDO1 Enzyme BMDBP00609 Transketolase Q6B855 TKT Enzyme