UDP-N-acetyl-alpha-D-mannosamine

HCID 449043CAS 26575-17-7

基本情報

標準SMILES: CC(=O)N[C@@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIKey: LFTYTUAZOPRMMI-ZYQOOJPVSA-N
分子式: C17H27N3O17P2
平均分子量: 607.4 g/mol
単同位体質量: 607.08156966

概要

UDP-N-acetyl-alpha-D-mannosamine is a UDP-N-acetyl-D-mannosamine in which the anomeric centre of the pyranose fragment has alpha-configuration. It is a conjugate acid of an UDP-N-acetyl-alpha-D-mannosamine(2-).

名称と識別子

優先名称: UDP-N-acetyl-alpha-D-mannosamine
IUPAC: [(2R,3S,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate

名称と別名

UDP-N-acetyl-alpha-D-mannosamineUDP-acetylmannosamineCHEBI:68678uridine 5'-[3-(2-acetamido-2-deoxy-alpha-D-mannopyranosyl) dihydrogen diphosphate]uridine 5'-(3-(2-acetamido-2-deoxy-alpha-D-mannopyranosyl) dihydrogen diphosphate)Uridine 5'-(trihydrogen diphosphate), P'-(2-(acetylamino)-2-deoxy-alpha-D-mannopyranosyl) esterRefChem:1100636UDP-ManNAcUDP-N-Acetylmannosamine26575-17-7uridine diphosphate N-acetylmannosamine[(2R,3S,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate

名称をさらに表示

(2R,3S,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)SCHEMBL29396726LFTYTUAZOPRMMI-ZYQOOJPVSA-NDTXSID701313724UD1MU158583C01170Q27137103

データベース識別子

CAS: 26575-17-7
PubChem CID: 449043
DTXSID: DTXSID701313724
ChEBI: CHEBI:68678
Nikkaji: J743.395F

物性

構造計算による物性

XLogP: -6.6
極性表面積: 300 Å²
水素結合供与体数: 9
水素結合受容体数: 17
回転可能結合数: 10
重原子数: 39
形式電荷: 0
複雑度: 1,080