Chem
J-GLOBAL ID：200907023780242400   Nikkaji number：J1.256.207A

1-O-(3-O-Sulfo-β-D-galactopyranosyl)-N-[(R)-1-oxo-2-hydroxytetracosyl]sphingosine

1-O-(3-O-スルホ-β-D-ガラクトピラノシル)-N-[(R)-1-オキソ-2-ヒドロキシテトラコシル]スフィンゴシン
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： C48H93NO12S
Molecular formula furigana： C48-H93-N-O12-S
Molecular weight： 908.330
InChI： InChI=1S/C48H93NO12S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-42(52)47(55)49-40(41(51)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2)39-59-48-45(54)46(61-62(56,57)58)44(53)43(38-50)60-48/h34,36,40-46,48,50-54H,3-33,35,37-39H2,1-2H3,(H,49,55)(H,56,57,58)/b36-34+/t40-,41+,42+,43+,44-,45+,46-,48+/m0/s1
InChI key： QTTLKKFUOJQIRB-JOLIRYOJSA-N
SMILES： CCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=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  (4)：
  • 1-O-(3-O-スルホ-β-D-ガラクトピラノシル)-N-[(R)-1-オキソ-2-ヒドロキシテトラコシル]スフィンゴシン
  • (2R)-N-[(1S,2R,3E)-1-(3-O-スルホ-β-D-ガラクトピラノシルオキシメチル)-2-ヒドロキシ-3-ヘプタデセニル]-2-ヒドロキシテトラコサンアミド
  • [(2R,3R,4S,5S,6R)-3,5-ジヒドロキシ-2-{[(2S,3R,4E)-3-ヒドロキシ-2-[(2R)-2-ヒドロキシテトラコサンアミド]オクタデカ-4-エン-1-イル]オキシ}-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)-3,5-dihydroxy-2-{[(2S,3R,4E)-3-hydroxy-2-[(2R)-2-hydroxytetracosanamido]octadec-4-en-1-yl]oxy}-6-(hydroxymethyl)oxan-4-yl]oxidanesulfonic acid
Other name (2)：
  • 1-O-(3-O-Sulfo-β-D-galactopyranosyl)-N-[(R)-1-oxo-2-hydroxytetracosyl]sphingosine
  • (2R)-N-[(1S,2R,3E)-1-(3-O-Sulfo-β-D-galactopyranosyloxymethyl)-2-hydroxy-3-heptadecenyl]-2-hydroxytetracosanamide
Thsaurus map：
Thesaurus Map

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