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

SPW

概要
表記:N,N'-BIS(3-AMMONIOPROPYL)BUTANE-1,4-DIAMINIUM
別名:SPERMINE (FULLY DEUTERATED FORM)
組成式:C10 H20 N4
電荷:4
化学式量:216.434 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs12.01N,N'-bis[3-(~2~H_3_)ammoniopropyl]butane-1,4-(~2~H_4_)diaminium
OpenEye OEToolkits1.7.2trideuterio-[3-[dideuterio-[4-[dideuterio-[3-(trideuterioazaniumyl)propyl]azaniumyl]butyl]azaniumyl]propyl]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
SMILESACDLabs12.01[2H][N+]([2H])(CCC[N+]([2H])([2H])[2H])CCCC[N+]([2H])([2H])CCC[N+]([2H])([2H])[2H]
InChIInChI1.03InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2/p+4/i/hD10
InChIKeyInChI1.03PFNFFQXMRSDOHW-NLAGYVBISA-R
SMILES_CANONICALCACTVS3.370[N+](CCC[N+](CCCC[N+](CCC[N+]([2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])([2H])[2H]
SMILESCACTVS3.370[N+](CCC[N+](CCCC[N+](CCC[N+]([2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])([2H])[2H]
SMILES_CANONICALOpenEye OEToolkits1.7.2[2H][N+]([2H])([2H])CCC[N+]([2H])([2H])CCCC[N+]([2H])([2H])CCC[N+]([2H])([2H])[2H]
SMILESOpenEye OEToolkits1.7.2[2H][N+]([2H])([2H])CCC[N+]([2H])([2H])CCCC[N+]([2H])([2H])CCC[N+]([2H])([2H])[2H]

223790

件を2024-08-14に公開中

PDB statisticsPDBj update infoContact PDBjnumon