Chem
J-GLOBAL ID：200907012246800071   Nikkaji number：J1.615.716C

1-O-[6-O-(N-Glycolyl-α-neuraminosyl)-β-D-glucopyranosyl]-N-octadecanoylphytosphingosine

1-O-[6-O-(N-グリコリル-α-ノイラミノシル)-β-D-グルコピラノシル]-N-オクタデカ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： C53H100N2O18
Molecular formula furigana： C53-H100-N2-O18
Molecular weight： 1053.379
InChI： InChI=1S/C53H100N2O18/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-42(61)54-37(45(63)38(58)30-28-26-24-22-20-16-14-12-10-8-6-4-2)35-70-51-49(67)48(66)47(65)41(72-51)36-71-53(52(68)69)32-39(59)44(55-43(62)34-57)50(73-53)46(64)40(60)33-56/h37-41,44-51,56-60,63-67H,3-36H2,1-2H3,(H,54,61)(H,55,62)(H,68,69)/t37-,38+,39-,40+,41+,44+,45-,46+,47+,48-,49+,50+,51+,53+/m0/s1
InChI key： YPBMQDGYPNJZQK-BGXCXFJLSA-N
SMILES： CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO[C@@]2(C[C@H](O)[C@@H](NC(=O)CO)[C@@H](O2)[C@H](O)[C@H](O)CO)C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC
Systematic name  (3)：
  • 1-O-[6-O-(N-グリコリル-α-ノイラミノシル)-β-D-グルコピラノシル]-N-オクタデカノイルフィトスフィンゴシン
  • (2R,4S,5R,6R)-2-{[(2R,3S,4S,5R,6R)-6-{[(2S,3S,4R)-3,4-ジヒドロキシ-2-オクタデカンアミドオクタデシル]オキシ}-3,4,5-トリヒドロキシオキサン-2-イル]メトキシ}-4-ヒドロキシ-5-(2-ヒドロキシアセトアミド)-6-[(1R,2R)-1,2,3-トリヒドロキシプロピル]オキサン-2-カルボン酸
  • (2R,4S,5R,6R)-2-{[(2R,3S,4S,5R,6R)-6-{[(2S,3S,4R)-3,4-dihydroxy-2-octadecanamidooctadecyl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-4-hydroxy-5-(2-hydroxyacetamido)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Other name (1)：
  • 1-O-[6-O-(N-Glycolyl-α-neuraminosyl)-β-D-glucopyranosyl]-N-octadecanoylphytosphingosine
Thsaurus map：
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