ChemSpider 2D Image | (2S,4S,5R,6R)-5-acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4R,5R,6R)-3-acetamido-2-[(2R,3S,4R,5R,6S)-4-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-yl]oxy-6-[(2R,3S,4S,5R,6R)-2-[(2S,3S,4R,5S,6S)-2-[(1S)-1-[3-aminopropoxy(hydroxy)phosphoryl]oxy-2-hydroxy-ethyl]-6-[(2R,3R,4R,6R)-6-carboxy-4-[(2R,4R,5R,6R)-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-2-[(1R)-1,2-dihydroxyethyl]-6-[[(2R,3S,4R,5R,6R)-4-[(3R)-3-hexadecanoyloxytetradecanoyl]oxy-6-[[(2R,3S,4R,5R,6R)-3-hydroxy-5-[[(3R)-3-hydroxytetradecanoyl]amino]-4-[(3R)-3-hydroxytetradecanoyl]oxy-6-phosphonooxy-tetrahydropyran-2-yl]methoxy]-3-phosphonooxy-5-[[(3R)-3-tetradecanoyloxytetradecanoyl]amino]tetrahydropyran-2-yl]methoxy]tetrahydropyran-3-yl]oxy-5-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-3,5-dihydroxy-tetrahydropyran-4-yl]oxy-5-hydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid | C179H319N6O90P3

(2S,4S,5R,6R)-5-acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4R,5R,6R)-3-acetamido-2-[(2R,3S,4R,5R,6S)-4-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-yl]oxy-6-[(2R,3S,4S,5R,6R)-2-[(2S,3S,4R,5S,6S)-2-[(1S)-1-[3-aminopropoxy(hydroxy)phosphoryl]oxy-2-hydroxy-ethyl]-6-[(2R,3R,4R,6R)-6-carboxy-4-[(2R,4R,5R,6R)-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-2-[(1R)-1,2-dihydroxyethyl]-6-[[(2R,3S,4R,5R,6R)-4-[(3R)-3-hexadecanoyloxytetradecanoyl]oxy-6-[[(2R,3S,4R,5R,6R)-3-hydroxy-5-[[(3R)-3-hydroxytetradecanoyl]amino]-4-[(3R)-3-hydroxytetradecanoyl]oxy-6-phosphonooxy-tetrahydropyran-2-yl]methoxy]-3-phosphonooxy-5-[[(3R)-3-tetradecanoyloxytetradecanoyl]amino]tetrahydropyran-2-yl]methoxy]tetrahydropyran-3-yl]oxy-5-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-3,5-dihydroxy-tetrahydropyran-4-yl]oxy-5-hydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid

  • Molecular FormulaC179H319N6O90P3
  • Average mass Da
  • Monoisotopic mass Da
  • ChemSpider ID34999788

  • defined stereocentres - 68 of 68 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

-(hexadecanoyloxy)tetradecanoyl]amino}-4-O-phosphono-β-D-glucopyranosyl-(1->6)-2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-α-D-glucopyranose
2-deoxy-β-D-galactopyranosyl-(1->4)]-β-D-galactopyranosyl-(1->3)-D-glycero-α-D-manno-heptopyranosyl-(1->3)-[β-D-glucopyranosyl-(1->4)]-6-O-[(3-aminopropoxy)(hydroxy)phosphoryl]-L-glycero-
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2->3)-[5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->3)-2-acetamido-
α-Neup5Ac-(2->3)-β-D-Galp-(1->3)-β-D-GalpNAc-(1->;4)-[α-Neup5Ac-(2->3)]-β-D-Galp-(1->3)-L-α-D-Hepp-(1->3)-[β-D-Glcp-(1->4)]-L-α-D-Hepp6PEtn-(1->5)-[α-D-Kdo-(2->4)]-α-D-Kdo-(2->6)-lipid A
  • Miscellaneous

    • Chemical Class:

      A lipid A derivative in which an <stereo>alpha</stereo>-Neu5Ac-(2<arrow>right</arrow>3)-<stereo>beta</stereo>-<stereo>D</stereo>-Gal-(1<arrow>right</arrow>3)-<stereo>beta</stereo>-<stereo>D</stereo>-G alNAc-(1<arrow>right</arrow>4)-[<stereo>alpha</stereo>-Neu5Ac-(2<arrow>right</arrow>3)]-<stereo>beta</stereo>-<stereo>D</stereo>-Gal-(1<arrow>right</arrow>3)-<stereo>L</stereo>-<stereo>alpha</stereo>- <stereo>D</stereo>-Hep-(1<arrow>right</arrow>3)-[<stereo>beta</stereo>-<stereo>D</stereo>-Glc-(1<arrow>right</arrow>4)]-<stereo>L</stereo>-<stereo>alpha</stereo>-<stereo>D</stereo>-Hep6<ital>P</ital>E tn branched decasaccharide is linked (1<arrow>right</arrow>5) to a lipid A component containing four C<smallsub>14</smallsub> and two C<smallsub>16</smallsub> fatty acyl chains. Reported as a propose d lipooligosaccharide outer core structure of <ital>Campylobacter jejuni</ital> strains (CO016 and GC105) isolated from patients with Guillain-Barr<acute>e</acute> syndrome (GBS) who had anti-GM1b ant ibodies, but neither anti-GM1 nor anti-GD1a antibodies (PMID:25867522). ChEBI CHEBI:85677
      A lipid A derivative in which an alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->3)-L-alpha-D-Hep-(1->3)-[beta-D-Glc-(1->4)]-L-alpha-D-Hep6PEtn branched decasaccharide is linked (1->5) to a lipid A component containing four C14 and two C16 fatty acyl chains. Reported as a proposed lipooligosaccharide outer core structure of Campylobacter jejuni stra ins (CO016 and GC105) isolated from patients with Guillain-Barre syndrome (GBS) who had anti-GM1b antibodies, but neither anti-GM1 nor anti-GD1a antibodies (PMID:25867522). ChEBI CHEBI:85677
      A lipid A derivative in which an alpha-Neu5Ac-(2right3)-beta-D-Gal-(1right3)-beta-D-G; alNAc-(1right4)-[alpha-Neu5Ac-(2right3)]-beta-D-Gal-(1right3)-L-alpha-; D-Hep-(1right3)-[beta-D-Glc-(1right4)]-L- alpha-D-Hep6PE; tn branched decasaccharide is linked (1right5) to a lipid A component containing four C14 and two C16 fatty acyl chains. Reported as a propose; d lipooligosaccharide outer core struct ure of Campylobacter jejuni strains (CO016 and GC105) isolated from patients with Guillain-Barre syndrome (GBS) who had anti-GM1b ant; ibodies, but neither anti-GM1 nor anti-GD1a antibodies (PMID:2586 7522). ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:85677

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

No predicted properties have been calculated for this compound.

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