基本情報
- 標準SMILES
CCCCCCCCCCC[C@@H](O)CC(=O)O[C@@H]1[C@@H](N)[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]1O- InChIKey
ZFPNNOXCEDQJQS-SSVOXRMNSA-N- 分子式
- C29H51N3O18P2
- 平均分子量
- 791.7 g/mol
- 単同位体質量
- 791.26428578
概要
UDP-3-O-[(3R)-3-hydroxytetradecanoyl]-alpha-D-glucosamine is a UDP-3-O-[(3R)-3-hydroxytetradecanoyl]-D-glucosamine in which the anomeric centre of the pyranose fragment has alpha-configuration. It is a conjugate acid of an UDP-3-O-[(3R)-3-hydroxytetradecanoyl]-alpha-D-glucosamine(1-).
名称と識別子
- 優先名称
- UDP-3-O-((3R)-3-hydroxytetradecanoyl)-alpha-D-glucosamine
- IUPAC
- [(2R,3R,4R,5S,6R)-3-amino-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
名称と別名
UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamineUDP-3-O-[(3R)-3-hydroxytetradecanoyl]-alpha-D-glucosamineUDP-3-O-[(3R)-3-hydroxymyristoyl]-D-glucosamineUDP-3-O-[(3R)-3-hydroxymyristoyl]-alpha-D-glucosamineCHEBI:71619uridine 5'-(3-{2-amino-2-deoxy-3-O-[(3R)-hydroxytetradecanoyl]-alpha-D-glucopyranosyl} dihydrogen diphosphate)UDP-3-O-((3R)-3-hydroxymyristoyl)-D-glucosamineUDP-3-O-((3R)-3-hydroxymyristoyl)-alpha-D-glucosamineUDP-3-O-((3R)-3-hydroxytetradecanoyl)-alpha-D-glucosamineuridine 5'-(3-(2-amino-2-deoxy-3-O-((3R)-hydroxytetradecanoyl)-alpha-D-glucopyranosyl) dihydrogen diphosphate)RefChem:192900UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine
名称をさらに表示
Uridine-5'-Diphosphate-3-O-(R-3-Hydroxymyristoyl)-GlucosamineUDP-3-O-(3-hydroxymyristoyl)-alpha-D-glucosamine24GDTXSID501343652LMSL01010001C06022Q27139762(2R,3R,4R,5S,6R)-3-amino-2-{[(R)-{[(S)-{[(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 (3R)-3-hydroxytetradecanoate (non-preferred name)
物性
構造計算による物性
- XLogP
- -3.7
- 極性表面積
- 324 Ų
- 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
- 23
- 重原子数
- 52
- 形式電荷
- 0
- 複雑度
- 1,310
実験および物理化学的性質
LipidsLipids -> Saccharolipids [SL] -> Acylaminosugars [SL01] -> Monoacylaminosugars [SL0101]
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
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