Palmitoyldocosahexaenoyl phosphatidylcholine
HIT212666405
sdf文件结构编辑类似物检索
HIT ID: HIT212666405
Cas No: 59403-54-2
分子式: C46H80NO8P
分子量: 806.119
常用名: Palmitoyldocosahexaenoyl phosphatidylcholine
常用名: Palmitoyldocosahexaenoyl phosphatidylcholine
氢键受体数 (HBA): 4
氢键供体数 (HBD): 0
LogP: 8.609678
IUPAC: (2-{[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-(hexadecanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium
IUPAC: (2-{[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-(hexadecanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium
SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
InChI key: IESVDEZGAHUQJU-ZLBXKVHBSA-N
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