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PLD

概要
表記:di-heneicosanoyl phosphatidyl choline
組成式:C50 H101 N O8 P
電荷:1
化学式量:875.313 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs10.04(4S,7R)-7-(henicosanoyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphatriacontan-1-aminium 4-oxide
OpenEye OEToolkits1.5.02-[[(2R)-2,3-di(henicosanoyloxy)propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-azanium

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs10.04O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCCCCCCCCCCC
InChIInChI1.03InChI=1S/C50H100NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h48H,6-47H2,1-5H3/p+1/t48-/m1/s1
InChIKeyInChI1.03QFFSGJSMHPWZOB-QSCHNALKSA-O
SMILES_CANONICALCACTVS3.385CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC
SMILESCACTVS3.385CCCCCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC
SMILES_CANONICALOpenEye OEToolkits1.7.5CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC
SMILESOpenEye OEToolkits1.7.5CCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC

222415

件を2024-07-10に公開中

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