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43Y

概要
表記:[(2R)-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-2-propanoyloxy-propyl] propanoate
別名:1,2-dipropionyl-sn-glycero-3-phosphocholine
組成式:C14 H29 N O8 P
電荷:1
化学式量:370.356 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs12.01(4S,7R)-4-hydroxy-N,N,N-trimethyl-10-oxo-7-(propanoyloxy)-3,5,9-trioxa-4-phosphadodecan-1-aminium 4-oxide
OpenEye OEToolkits1.7.62-[[(2R)-2,3-di(propanoyloxy)propoxy]-oxidanyl-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
SMILESACDLabs12.01O=C(OCC(OC(=O)CC)COP(=O)(OCC[N+](C)(C)C)O)CC
InChIInChI1.03InChI=1S/C14H28NO8P/c1-6-13(16)20-10-12(23-14(17)7-2)11-22-24(18,19)21-9-8-15(3,4)5/h12H,6-11H2,1-5H3/p+1/t12-/m1/s1
InChIKeyInChI1.03LMBVWVMURYPSQM-GFCCVEGCSA-O
SMILES_CANONICALCACTVS3.385CCC(=O)OC[C@H](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CC
SMILESCACTVS3.385CCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CC
SMILES_CANONICALOpenEye OEToolkits1.7.6CCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CC
SMILESOpenEye OEToolkits1.7.6CCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CC

226262

件を2024-10-16に公開中

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