CAS 108636-29-9 Uridine 5'-(trihydrogen diphosphate), P'-(2-(acetylamino)-2-deoxy-3-O-((3R)-3-hydroxy-1-oxotetradecyl)-alpha-D-glucopyranosyl) ester (HCID 194791)

基本情報

CAS: 108636-29-9
標準SMILES: CCCCCCCCCCC[C@@H](O)CC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[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)[C@@H]1NC(C)=O
InChIKey: TZSJGZGYQDNRRX-MPLCHSTDSA-N
分子式: C31H53N3O19P2
平均分子量: 833.7 g/mol
単同位体質量: 833.27485046

概要

UDP-3-O-[(3R)-3-hydroxytetradecanoyl]-N-acetyl-alpha-glucosamine is a UDP-amino sugar having 3-O-[(3R)-3-hydroxytetradecanoyl]-N-acetyl-alpha-glucosamine as the amino sugar component. It is functionally related to an UDP-alpha-D-glucosamine. It is a conjugate acid of an UDP-3-O-[(3R)-3-hydroxytetradecanoyl]-N-acetylglucosamine(2-).

名称と識別子

優先名称: Uridine 5'-(trihydrogen diphosphate), P'-(2-(acetylamino)-2-deoxy-3-O-((3R)-3-hydroxy-1-oxotetradecyl)-alpha-D-glucopyranosyl) ester
IUPAC: [(2R,3R,4R,5S,6R)-3-acetamido-2-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] (3R)-3-hydroxytetradecanoate
英語名: UDP-3-O-(3-hydroxymyristoyl)-N-acetylglucosamine
分子式: C31H53N3O19P2
分子量: 833.71

名称と別名

108636-29-9UDP-3-O-(3-hydroxymyristoyl)-N-acetylglucosamineRefChem:933852N-((2R,3R,4R,5S,6R)-2-(((((((2R,3S,4R,5R)-3,4-dihydroxy-5-(4-hydroxy-2-oxo-1,2-dihydropyrimidin-1-yl)oxolan-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-5-hydroxy-6-(hydroxymethyl)-4-(((3R)-3-hydroxytetradecanoyl)oxy)oxan-3-yl)ethanimidic acidUridine 5'-(trihydrogen diphosphate), P'-(2-(acetylamino)-2-deoxy-3-O-((3R)-3-hydroxy-1-oxotetradecyl)-alpha-D-glucopyranosyl) esterUdp-3-hmaglcUDP-3-O-acyl-GlcNAc[(2R,3R,4R,5S,6R)-3-acetamido-2-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] (3R)-3-hydroxytetradecanoateUDP-3-O-[(3R)-3-hydroxytetradecanoyl]-N-acetyl-alpha-glucosamineUridine-5'-Diphosphate-3-O-(R-3-Hydroxymyristoyl)-N-Acetyl-D-Glucosamine(3R)-(2R,3R,4R,5S,6R)-3-Acetamido-2-(((((((2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl 3-hydroxytetradecanoate

物性

構造計算による物性

XLogP: -1.2
極性表面積: 327 Å²
水素結合供与体数: 9
水素結合受容体数: 19
回転可能結合数: 24
重原子数: 55
形式電荷: 0
複雑度: 1,420

実験および物理化学的性質

LipidsLipids -> Saccharolipids [SL] -> Acylaminosugars [SL01] -> Diacylaminosugars [SL0102]

物理化学的性質

比重(密度): 1.5 · 1.50±0.1 g/cm3(Predicted)
溶解性: soluble in Water
酸解離定数(Pka): 1.1 · 1.10±0.50(Predicted)

化学と産業

応用分野

使用UDP-3-O[R-3-Hydroxymyristoyl]-N-acetylglucosamine is a lipid A precursor for Escherichia coli.

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海蔚化学86-21-51086038 · [email protected]

補足説明

定義ChEBI: A UDP-amino sugar having 3-O-[(3R)-3-hydroxytetradecanoyl]-N-acetyl-alpha-glucosamine as the amino sugar component.

化合物ノート

読み込み中…

Uridine 5'-(trihydrogen diphosphate), P'-(2-(acetylamino)-2-deoxy-3-O-((3R)-3-hydroxy-1-oxotetradecyl)-alpha-D-glucopyranosyl) ester