Chem
J-GLOBAL ID：200907093371276740   Nikkaji number：J1.668.699I

N-Palmitoylsulphatide

N-パルミトイルスルファチド
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C40H77NO11S
Molecular formula furigana： C40-H77-N-O11-S
Molecular weight： 780.110
InChI： InChI=1S/C40H77NO11S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(43)33(32-50-40-38(46)39(52-53(47,48)49)37(45)35(31-42)51-40)41-36(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,33-35,37-40,42-43,45-46H,3-26,28,30-32H2,1-2H3,(H,41,44)(H,47,48,49)/b29-27+/t33-,34+,35+,37-,38+,39-,40+/m0/s1
InChI key： CJGVDSGIQZDLDO-PHLJAKBWSA-N
SMILES： CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC
Systematic name  (3)：
  • N-パルミトイル-1-O-[3-O-スルホ-β-D-ガラクトピラノシル]スフィンゴシン
  • [(2R,3R,4S,5S,6R)-2-{[(2S,3R,4E)-2-ヘキサデカンアミド-3-ヒドロキシオクタデカ-4-エン-1-イル]オキシ}-3,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-4-イル]オキシダンスルホン酸
  • [(2R,3R,4S,5S,6R)-2-{[(2S,3R,4E)-2-hexadecanamido-3-hydroxyoctadec-4-en-1-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxidanesulfonic acid
Other name (3)：
  • N-Palmitoyl-1-O-[3-O-sulfo-β-D-galactopyranosyl]sphingosine
  • N-パルミトイルスルファチド
  • N-Palmitoylsulphatide
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