Chem
J-GLOBAL ID:200907057254187668   Nikkaji number:J1.829.518K

N-[(2S,3R)-1-[4-O-[3-O-(N-Acetyl-α-neuraminosyl)-β-D-galactopyranosyl]-β-D-glucopyranosyloxy]-3-hydroxy-4-octadecene-2-yl]octadecaneamide

N-[(2S,3R)-1-[4-O-[3-O-(N-アセチル-α-ノイラミノシル)-β-D-ガラクトピラノシル]-β-D-グルコピラノシルオキシ]-3-ヒドロキシ-4-オクタデセン-2-イル]オクタデカンアミド
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: C59H108N2O21
Molecular formula furigana: C59-H108-N2-O21
Molecular weight: 1181.506
InChI: InChI=1S/C59H108N2O21/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-46(69)61-40(41(66)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)38-77-56-51(73)50(72)53(45(37-64)79-56)80-57-52(74)55(49(71)44(36-63)78-57)82-59(58(75)76)34-42(67)47(60-39(3)65)54(81-59)48(70)43(68)35-62/h30,32,40-45,47-57,62-64,66-68,70-74H,4-29,31,33-38H2,1-3H3,(H,60,65)(H,61,69)(H,75,76)/t40-,41+,42-,43+,44+,45+,47+,48+,49-,50+,51+,52+,53+,54+,55-,56+,57-,59-/m0/s1
InChI key: UIKPUUZBQYTDRX-ITVJARRZSA-N
SMILES: CCCCCCCCCCCCCCCCCC(=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@@]3(C[C@H](O)[C@@H](NC(=O)C)[C@@H](O3)[C@H](O)[C@H](O)CO)C(=O)O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)C=CCCCCCCCCCCCCC
Systematic name  (4):
  • N-[(1S,2R)-1-[[[4-O-[3-O-(N-アセチル-α-ノイラミノシル)-β-D-ガラクトピラノシル]-β-D-グルコピラノシル]オキシ]メチル]-2-ヒドロキシ-3-ヘプタデセニル]オクタデカンアミド
  • N-[(2S,3R)-1-[4-O-[3-O-(N-アセチル-α-ノイラミノシル)-β-D-ガラクトピラノシル]-β-D-グルコピラノシルオキシ]-3-ヒドロキシ-4-オクタデセン-2-イル]オクタデカンアミド
  • (2S,4S,5R,6R)-2-{[(2S,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-4,5-ジヒドロキシ-6-{[(2S,3R)-3-ヒドロキシ-2-オクタデカンアミドオクタデカ-4-エン-1-イル]オキシ}-2-(ヒドロキシメチル)オキサン-3-イル]オキシ}-3,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-4-イル]オキシ}-5-アセトアミド-4-ヒドロキシ-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
  • (2S,4S,5R,6R)-2-{[(2S,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-{[(2S,3R)-3-hydroxy-2-octadecanamidooctadec-4-en-1-yl]oxy}-2-(hydroxymethyl)oxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Other name (2):
  • N-[(1S,2R)-1-[[[4-O-[3-O-(N-Acetyl-α-neuraminosyl)-β-D-galactopyranosyl]-β-D-glucopyranosyl]oxy]methyl]-2-hydroxy-3-heptadecenyl]octadecanamide
  • N-[(2S,3R)-1-[4-O-[3-O-(N-Acetyl-α-neuraminosyl)-β-D-galactopyranosyl]-β-D-glucopyranosyloxy]-3-hydroxy-4-octadecene-2-yl]octadecaneamide
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