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P1O

概要
表記:1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE
組成式:C28 H57 N O8 P
電荷:1
化学式量:566.728 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(4R,7R)-7-(decanoyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphanonadecan-1-aminium 4-oxide
OpenEye OEToolkits1.5.02-[[(2R)-2,3-di(decanoyloxy)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(OC(COP(=O)(OCC[N+](C)(C)C)O)COC(=O)CCCCCCCCC)CCCCCCCCC
SMILES_CANONICALCACTVS3.341CCCCCCCCCC(=O)OC[C@H](CO[P@@](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC
SMILESCACTVS3.341CCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC
SMILESOpenEye OEToolkits1.5.0CCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC
InChIInChI1.03InChI=1S/C28H56NO8P/c1-6-8-10-12-14-16-18-20-27(30)34-24-26(25-36-38(32,33)35-23-22-29(3,4)5)37-28(31)21-19-17-15-13-11-9-7-2/h26H,6-25H2,1-5H3/p+1/t26-/m1/s1
InChIKeyInChI1.03MLKLDGSYMHFAOC-AREMUKBSSA-O

222415

件を2024-07-10に公開中

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