Loading
PDBj
メニューPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

TSD

概要
表記:3-TRIMETHYLSILYL-PROPIONATE-2,2,3,3,-D4
組成式:C6 H9 O2 Si
電荷:-1
化学式量:149.276 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs12.013-(trimethylsilyl)(~2~H_4_)propanoate
OpenEye OEToolkits1.7.22,2,3,3-tetradeuterio-3-trimethylsilyl-propanoate

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs12.01[2H]C([2H])(C([O-])=O)C([2H])([2H])[Si](C)(C)C
InChIInChI1.03InChI=1S/C6H14O2Si/c1-9(2,3)5-4-6(7)8/h4-5H2,1-3H3,(H,7,8)/p-1/i4D2,5D2
InChIKeyInChI1.03NONFLFDSOSZQHR-CQOLUAMGSA-M
SMILES_CANONICALCACTVS3.370C[Si](C)(C)C(C(C([O-])=O)([2H])[2H])([2H])[2H]
SMILESCACTVS3.370C[Si](C)(C)C(C(C([O-])=O)([2H])[2H])([2H])[2H]
SMILES_CANONICALOpenEye OEToolkits1.7.2[2H]C([2H])(C(=O)[O-])C([2H])([2H])[Si](C)(C)C
SMILESOpenEye OEToolkits1.7.2[2H]C([2H])(C(=O)[O-])C([2H])([2H])[Si](C)(C)C

222415

件を2024-07-10に公開中

PDB statisticsPDBj update infoContact PDBjnumon