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硫酸脑苷脂 | 151122-71-3

硫酸脑苷脂结构式图片|151122-71-3结构式图片
硫酸脑苷脂
Tetracosanamide,N-[(1S,2R,3E)-2-hydroxy-1-[[(3-O-sulfo-b-D-galactopyranosyl)oxy]methyl]-3-heptadecen-1-yl]-
151122-71-3
C48H93NO11S
892.317120000001
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:硫酸脑苷脂结构式
6451121
名称和标识符
InChIKey MEAZTWJVOWHKJM-MHAUTQJVSA-N
Inchi InChI=1S/C48H93NO11S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)40-58-48-46(54)47(60-61(55,56)57)45(53)43(39-50)59-48/h35,37,41-43,45-48,50-51,53-54H,3-34,36,38-40H2,1-2H3,(H,49,52)(H,55,56,57)/b37-35+
SMILES CCCCCCCCCCCCCCCCCCCCCCCC(NC(COC1OC(CO)C(O)C(OS(=O)(O)=O)C1O)C(/C=C/CCCCCCCCCCCCC)O)=O
别名信息
- 中文别名 -
  • 3,4-二甲氧基苯丙胺
  • 硫酸脑苷脂
- 英文别名 -
  • Tetracosanamide,N-[(1S,2R,3E)-2-hydroxy-1-[[(3-O-sulfo-b-D-galactopyranosyl)oxy]methyl]-3-heptadecen-1-yl]-
  • Tetracosanamide,N-[(1S,2R,3E)-2-hydroxy-1-[[(3-O-sulfo-b-D-galactopyranosyl)oxy]methyl]-3-hept...
  • 3'-Sulfogalactosylceramide
  • N-[(1S,2R,3E)-2-hydroxy-1-{[(3-O-sulfo-beta-D-galactopyranosyl)oxy]methyl}heptadec-3-en-1-yl]tetracosanamide
  • Sulfatide
  • Tetracosanamide, N-((1S,2R,3E)-2-hydroxy-1-(((3-O-sulfo-beta-D-galactopyranosyl)oxy)methyl)-3-heptadecenyl)-
  • 1-(3-O-sulfo-beta-D-galactosyl)-N-tetracosanoylsphingosine
  • (2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(E,2S,3R)-3-hydrox y-2-(tetracosanoylamino)octadec-4-enoxy]-4-sulfooxy-oxane
  • C24 3'-sulfo Galactosylceramide (d18:1/24:0)
  • Sulfoglycosphingolipids
  • [(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(E,2S,3R)-3-hydroxy-2-(tetracosanoylamino)octadec-4-enoxy]oxan-4-yl] hydrogen sulfate
  • Q27127214
  • DTXSID901110847
  • AKOS040756332
  • 151122-71-3
  • N-[(1S,2R,3E)-2-Hydroxy-1-[[(3-O-sulfo-beta-D-galactopyranosyl)oxy]methyl]-3-heptadecen-1-yl]tetracosanamide
  • 3-O-Sulfogalactosylceramide (d18:1/24:0)
  • Tetracosanoyl-sulfatide
  • [(2R,3S,4S,5R,6R)-3,5-Dihydroxy-2-(hydroxymethyl)-6-[(E,2S,3R)-3-hydroxy-2-(tetracosanoylamino)octadec-4-enoxy]oxan-4-yl]hydrogen sulfate
  • HY-145535
  • N-{(2S,3R,4E)-3-hydroxy-1-[(3-O-sulfo-beta-D-galactopyranosyl)oxy]octadec-4-en-2-yl}tetracosanamide
  • Epitope ID:139424
  • tetracosanoyl sulfatide
  • 3' Sulfogalactosylceramide
  • PD077234
  • 3'-Sulfo-galactosylceramide
  • (2R,3R,4S,5S,6R)-3,5-Dihydroxy-2-(((2S,3R,E)-3-hydroxy-2-tetracosanamidooctadec-4-en-1-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl hydrogen sulfate
  • CHEBI:60361
  • [(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-{[(2S,3R,4E)-3-hydroxy-2-tetracosanamidooctadec-4-en-1-yl]oxy}-6-(hydroxymethyl)oxan-4-yl]oxidanesulfonic acid
  • Tetracosanamide, N-[(1S,2R,3E)-2-hydroxy-1-[[(3-O-sulfo-beta-D-galactopyranosyl)oxy]methyl]-3-heptadecen-1-yl]-
  • Tetracosanamide, N-[(1S,2R,3E)-2-hydroxy-1-[[(3-O-sulfo-b-D-galactopyranosyl)oxy]methyl]-3-heptadecenyl]-
  • [(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(E,2S,3R)-3-hydroxy-2-(tetracosanoylamino)octadec-4-enoxy]tetrahydropyran-4-yl] hydrogen sulfate
  • 3688-74-2
  • CS-0375793
物化性质
实验特性
PSA 192.08
折射率 1.52
沸点 °Cat760mmHg
闪点 °C
密度 1.09
计算特性
精确分子量 891.64729
氢键供体数量 6
氢键受体数量 11
可旋转化学键数量 43
同位素质量 891.646934
重原子数量 61
复杂度 1140
同位素原子数量 0
确定原子立构中心数量 7
不确定原子立构中心数量 0
确定化学键立构中心数量 1
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 15.2
拓扑分子极性表面积 201
专业数据库参考
PubChemId 6451121
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