Name: 3D-Monophosphoryl Lipid (12,16) free acid
Rating: 5 (10 reviews)

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结构编辑

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HIT ID:HIT219201046
Cas No:220048-49-7
常用名:3D-Monophosphoryl Lipid (12,16) free acid
常用名:3D-Monophosphoryl Lipid (12,16) free acid
别名:3D-MPL (12,16) free acid
IUPAC:{[(2R,3S,4R,5R,6R)-5-[(3R)-3-(dodecanoyloxy)tetradecanamido]-6-{[(2R,3S,4R,5R,6S)-5-[(3R)-3-(hexadecanoyloxy)tetradecanamido]-3,4,6-trihydroxyoxan-2-yl]methoxy}-2-(hydroxymethyl)-4-{[(3R)-3-(tetradecanoyloxy)tetradecanoyl]oxy}oxan-3-yl]oxy}phosphonic acid
IUPAC:{[(2R,3S,4R,5R,6R)-5-[(3R)-3-(dodecanoyloxy)tetradecanamido]-6-{[(2R,3S,4R,5R,6S)-5-[(3R)-3-(hexadecanoyloxy)tetradecanamido]-3,4,6-trihydroxyoxan-2-yl]methoxy}-2-(hydroxymethyl)-4-{[(3R)-3-(tetradecanoyloxy)tetradecanoyl]oxy}oxan-3-yl]oxy}phosphonic acid
InChI key:OPGTXAUDXWCGFI-OEHZVWPTSA-N

分子式:C96H181N2O21P
分子量:1730.471
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)N[C@H]1[C@@H](O)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)[C@@H](O)[C@@H]1O
SMILES:CCCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)N[C@H]1[C@@H](O)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)[C@@H](O)[C@@H]1O

3D-Monophosphoryl Lipid (12,16) (3D-MPL (12,16)) free acid 是一种作为疫苗佐剂的TLR激动剂，能够增强疫苗的免疫原性。

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