Chem
J-GLOBAL ID：201507016480254998   Nikkaji number：J3.410.429H

N-(Docosanoyl)-1-O-[4-O-(β-D-galactopyranosyl)-β-D-glucopyranosyl]sphingosine

N-(ドコサノイル)-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]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： C52H99NO13
Molecular formula furigana： C52-H99-N-O13
Molecular weight： 946.358
InChI： InChI=1S/C52H99NO13/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-44(57)53-40(41(56)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)39-63-51-49(62)47(60)50(43(38-55)65-51)66-52-48(61)46(59)45(58)42(37-54)64-52/h33,35,40-43,45-52,54-56,58-62H,3-32,34,36-39H2,1-2H3,(H,53,57)/b35-33+/t40-,41+,42+,43+,45-,46-,47+,48+,49+,50+,51+,52-/m0/s1
InChI key： QYWVASPEUXEHSY-NNRNTGNWSA-N
SMILES： CCCCCCCCCCCCCCCCCCCCCC(=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=C/CCCCCCCCCCCCC
Systematic name  (3)：
  • N-(ドコサノイル)-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]スフィンゴシン
  • N-[(2S,3R,4E)-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-ヒドロキシオクタデカ-4-エン-2-イル]ドコサンアミド
  • N-[(2S,3R,4E)-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-hydroxyoctadec-4-en-2-yl]docosanamide
Other name (1)：
  • N-(Docosanoyl)-1-O-[4-O-(β-D-galactopyranosyl)-β-D-glucopyranosyl]sphingosine
Thsaurus map：
Thesaurus Map

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