Chem
J-GLOBAL ID:200907039061526866   Nikkaji number:J1.077.003C

1-O-(4-O-β-D-Galactopyranosyl-β-D-glucopyranosyl)-N-[(R)-2-hydroxytetracosanoyl]phytosphingosine

1-O-(4-O-β-D-ガラクトピラノシル-β-D-グルコピラノシル)-N-[(R)-2-ヒドロキシテトラコサノイル]フィトスフィンゴシン
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: C54H105NO15
Molecular formula furigana: C54-H105-N-O15
Molecular weight: 1008.426
InChI: InChI=1S/C54H105NO15/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-42(59)52(66)55-40(45(60)41(58)35-33-31-29-27-25-16-14-12-10-8-6-4-2)39-67-53-50(65)48(63)51(44(38-57)69-53)70-54-49(64)47(62)46(61)43(37-56)68-54/h40-51,53-54,56-65H,3-39H2,1-2H3,(H,55,66)/t40-,41+,42+,43+,44+,45-,46-,47-,48+,49+,50+,51+,53+,54-/m0/s1
InChI key: YPPRSGUJQMJZRZ-OUEBWQSGSA-N
SMILES: CCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC
Systematic name  (4):
  • [(2S,3S,4R)-2-[[(2R)-2-ヒドロキシ-1-オキソテトラコシル]アミノ]-3,4-ジヒドロキシオクタデシル]4-O-β-D-ガラクトピラノシル-β-D-グルコピラノシド
  • 1-O-(4-O-β-D-ガラクトピラノシル-β-D-グルコピラノシル)-N-[(R)-2-ヒドロキシテトラコサノイル]フィトスフィンゴシン
  • (2R)-N-[(2S,3S,4R)-1-{[(2R,3R,4R,5S,6R)-3,4-ジヒドロキシ-6-(ヒドロキシメチル)-5-{[(2S,3R,4S,5R,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}オキサン-2-イル]オキシ}-3,4-ジヒドロキシオクタデカン-2-イル]-2-ヒドロキシテトラコサンアミド
  • (2R)-N-[(2S,3S,4R)-1-{[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxyoctadecan-2-yl]-2-hydroxytetracosanamide
Other name (2):
  • [(2S,3S,4R)-2-[[(2R)-2-Hydroxy-1-oxotetracosyl]amino]-3,4-dihydroxyoctadecyl]4-O-β-D-galactopyranosyl-β-D-glucopyranoside
  • 1-O-(4-O-β-D-Galactopyranosyl-β-D-glucopyranosyl)-N-[(R)-2-hydroxytetracosanoyl]phytosphingosine
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