1.0 2016-09-30 22:41:12 UTC 2020-05-05 18:37:36 UTC BMDB0001109 BMDB01109 Glucosamine-1P alpha-D-Glucosamine 1-phosphate alpha-D-Glucosamine 1P alpha-delta-Glucosamine 1-phosphate alpha-delta-Glucosamine 1P C6H14NO8P 259.151 259.045702941 {[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phosphonic acid glucosamine-1P N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OP(O)(O)=O InChI=1S/C6H14NO8P/c7-3-5(10)4(9)2(1-8)14-6(3)15-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6+/m1/s1 YMJBYRVFGYXULK-UKFBFLRUSA-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-aminoalcohols Aminosaccharides Hexoses Hydrocarbon derivatives Monoalkyl phosphates Monoalkylamines Organic oxides Organopnictogen compounds Oxacyclic compounds Oxanes Primary alcohols Secondary alcohols 1,2-aminoalcohol Alcohol Aliphatic heteromonocyclic compound Alkyl phosphate Amine Amino saccharide Hexose monosaccharide Hydrocarbon derivative Monoalkyl phosphate Monosaccharide phosphate Organic nitrogen compound Organic oxide Organic phosphoric acid derivative Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Phosphoric acid ester Primary alcohol Primary aliphatic amine Primary amine Secondary alcohol Aliphatic heteromonocyclic compounds Solid logp -2.59 ALOGPS logs -0.87 ALOGPS logp -4.2 ChemAxon pka_strongest_acidic 1.18 ChemAxon pka_strongest_basic 8.69 ChemAxon iupac {[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phosphonic acid ChemAxon average_mass 259.151 ChemAxon mono_mass 259.045702941 ChemAxon smiles N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OP(O)(O)=O ChemAxon formula C6H14NO8P ChemAxon inchi InChI=1S/C6H14NO8P/c7-3-5(10)4(9)2(1-8)14-6(3)15-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6+/m1/s1 ChemAxon inchikey YMJBYRVFGYXULK-UKFBFLRUSA-N ChemAxon polar_surface_area 162.7 ChemAxon refractivity 48.45 ChemAxon polarizability 21.43 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 8 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 22985 Specdb::CMs 37929 Specdb::CMs 152067 Specdb::MsMs 317050 Specdb::MsMs 317051 Specdb::MsMs 317052 Specdb::MsMs 363442 Specdb::MsMs 363443 Specdb::MsMs 363444 Specdb::MsMs 3061583 Specdb::MsMs 3061584 Specdb::MsMs 3061585 Specdb::MsMs 3109518 Specdb::MsMs 3109519 Specdb::MsMs 3109520 Specdb::NmrOneD 262788 Specdb::NmrOneD 262789 Specdb::NmrOneD 262790 Specdb::NmrOneD 262791 Specdb::NmrOneD 262792 Specdb::NmrOneD 262793 Specdb::NmrOneD 262794 Specdb::NmrOneD 262795 Specdb::NmrOneD 262796 Specdb::NmrOneD 262797 Specdb::NmrOneD 262798 Specdb::NmrOneD 262799 Specdb::NmrOneD 262800 Specdb::NmrOneD 262801 Specdb::NmrOneD 262802 Specdb::NmrOneD 262803 Specdb::NmrOneD 262804 Specdb::NmrOneD 262805 Specdb::NmrOneD 262806 Specdb::NmrOneD 262807 Liver 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 Liver 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 FDB022429 8140645 174383 9965052 6009