Chem
J-GLOBAL ID:200907063052008257   Nikkaji number:J1.076.997C

(4R)-1-O-(4-O-β-D-Galactopyranosyl-β-D-glucopyranosyl)-N-[(R)-2-hydroxybehenoyl]-4-hydroxyheptadecasphinganine

(4R)-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-ヒドロキシベヘノイル]-4-ヒドロキシヘプタデカスフィンガニン
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: C51H99NO15
Molecular formula furigana: C51-H99-N-O15
Molecular weight: 966.345
InChI: InChI=1S/C51H99NO15/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-33-39(56)49(63)52-37(42(57)38(55)32-30-28-26-24-22-14-12-10-8-6-4-2)36-64-50-47(62)45(60)48(41(35-54)66-50)67-51-46(61)44(59)43(58)40(34-53)65-51/h37-48,50-51,53-62H,3-36H2,1-2H3,(H,52,63)/t37-,38+,39+,40+,41+,42-,43-,44-,45+,46+,47+,48+,50+,51-/m0/s1
InChI key: NCNBJNSAHHHNKG-NUJXYHBVSA-N
SMILES: CCCCCCCCCCCCCCCCCCCC[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)CCCCCCCCCCCCC
Systematic name  (4):
  • [(2S,3S,4R)-2-[[(2R)-2-ヒドロキシ-1-オキソドコシル]アミノ]-3,4-ジヒドロキシヘプタデシル]4-O-β-D-ガラクトピラノシル-β-D-グルコピラノシド
  • (4R)-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-ヒドロキシベヘノイル]-4-ヒドロキシヘプタデカスフィンガニン
  • (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-ジヒドロキシヘプタデカン-2-イル]-2-ヒドロキシドコサンアミド
  • (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-dihydroxyheptadecan-2-yl]-2-hydroxydocosanamide
Other name (2):
  • [(2S,3S,4R)-2-[[(2R)-2-Hydroxy-1-oxodocosyl]amino]-3,4-dihydroxyheptadecyl]4-O-β-D-galactopyranosyl-β-D-glucopyranoside
  • (4R)-1-O-(4-O-β-D-Galactopyranosyl-β-D-glucopyranosyl)-N-[(R)-2-hydroxybehenoyl]-4-hydroxyheptadecasphinganine
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