Chemical Compound

[(1S)-1-[2-[[(2S,3R,4R,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3-[[(3S)-3-dodecanoyloxytetradecanoyl]amino]-6-(hydroxymethyl)-5-phosphonooxy-4-[(3S)-3-tetradecanoyloxytetradecanoyl]oxy-tetrahydropyran-2-yl]oxymethyl]-2,5-dihydroxy-4-[(3S)-3-hydroxytetradecanoyl]oxy-tetrahydropyran-3-yl]amino]-2-oxo-ethyl]dodecyl] hexadecanoate

CAS Registry Number 103530-99-0
[(1S)-1-[2-[[(2S,3R,4R,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3-[[(3S)-3-dodecanoyloxytetradecanoyl]amino]-6-(hydroxymethyl)-5-phosphonooxy-4-[(3S)-3-tetradecanoyloxytetradecanoyl]oxy-tetrahydropyran-2-yl]oxymethyl]-2,5-dihydroxy-4-[(3S)-3-hydroxytetradecanoyl]oxy-tetrahydropyran-3-yl]amino]-2-oxo-ethyl]dodecyl] hexadecanoate 结构式
Primary record

[(1S)-1-[2-[[(2S,3R,4R,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3-[[(3S)-3-dodecanoyloxytetradecanoyl]amino]-6-(hydroxymethyl)-5-phosphonooxy-4-[(3S)-3-tetradecanoyloxytetradecanoyl]oxy-tetrahydropyran-2-yl]oxymethyl]-2,5-dihydroxy-4-[(3S)-3-hydroxytetradecanoyl]oxy-tetrahydropyran-3-yl]amino]-2-oxo-ethyl]dodecyl] hexadecanoate

库存
9,818 克
纯度
98.8 %
CAS
103530-99-0

化合物标识与属性

CAS
103530-99-0
PubChem CID
451715
SMILES
CCCCCCCCCCCCCCCC(=O)O[C@@H](CCCCCCCCCCC)CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)OC(=O)C[C@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)NC(=O)C[C@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)O)OC(=O)C[C@H](CCCCCCCCCCC)O
Canonical SMILES
CCCCCCCCCCCCCCCC(=O)O[C@@H](CCCCCCCCCCC)CC(=O)N[C@@H]1[C@@H](OC(=O)C[C@@H](O)CCCCCCCCCCC)[C@H](O)[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](OP(=O)(O)O)[C@H](OC(=O)C[C@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@H]2NC(=O)C[C@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)O[C@@H]1O

名称与同义词

  • Coumpound 514
  • Maclura pomifera lectin
  • Monophosphoryl lipid A
  • AC1L9PST
  • Heptaacyl monophosphoryl lipid A
  • SCHEMBL30775522
  • DTXSID70145891
  • AIDS000689
  • CID451715
  • 103530-99-0
  • [(3S)-1-[[(2S,3R,4R,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3-[[(3S)-3-dodecanoyloxytetradecanoyl]amino]-6-(hydroxymethyl)-5-phosphonooxy-4-[(3S)-3-tetradecanoyloxytetradecanoyl]oxyoxan-2-yl]oxymethyl]-2,5-dihydroxy-4-[(3S)-3-hydroxytetradecanoyl]oxyoxan-3-yl]amino]-1-oxotetradecan-3-yl] hexadecanoate
  • Lipopolysaccharide (LPS) hydrolysate from Salmonella minnesota
  • .alpha.-D-Glucopyranose, 2-deoxy-6-O-[2-deoxy-2-[[1-oxo-3-[(1-oxododecyl)oxy]tetradecyl]amino]-3-O-[1-oxo-3-[(1-oxotetradecyl)oxy]tetradecyl]-4-O-phosphono-.beta.-D-glucopyranosyl]-2-[[1-oxo-3-[(1-oxohexadecyl)oxy]tetradecyl]amino]-, 3-(3-hydroxytetradecanoate), [2(R),3(R),6[2(R),3(R)]]-
  • [(1S)-1-[2-[[(2S,3R,4R,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3-[[(3S)-3-dodecanoyloxytetradecanoyl]amino]-6-(hydroxymethyl)-5-phosphonooxy-4-[(3S)-3-tetradecanoyloxytetradecanoyl]oxy-tetrahydropyran-2-yl]oxymethyl]-2,5-dihydroxy-4-[(3S)-3-hydroxytetradecanoyl]oxy-tetrahydropyran-3-yl]amino]-2-oxo-ethyl]dodecyl] hexadecanoate
  • 2-Deoxy-6-O-{2-deoxy-2-[(3S)-3-(dodecanoyloxy)tetradecanamido]-4-O-phosphono-3-O-[(3S)-3-(tetradecanoyloxy)tetradecanoyl]-beta-D-glucopyranosyl}-2-[(3S)-3-(hexadecanoyloxy)tetradecanamido]-3-O-[(3S)-3-hydroxytetradecanoyl]-alpha-D-glucopyranose
  • MPL