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SNI

概要
表記:9-(3,4-DIHYDROXY-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-2-YL)-1,9-DIHYDRO-PURINE-6-THIONE
別名:SELENOINOSINE
組成式:C10 H12 N4 O4 Se
電荷:0
化学式量:331.187 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs10.049-beta-D-ribofuranosyl-1,9-dihydro-6H-purine-6-selone
OpenEye OEToolkits1.5.09-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purine-6-selone

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs10.04[Se]=C1c2ncn(c2N=CN1)C3OC(C(O)C3O)CO
SMILES_CANONICALCACTVS3.341OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3C(=[Se])NC=Nc23
SMILESCACTVS3.341OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3C(=[Se])NC=Nc23
SMILES_CANONICALOpenEye OEToolkits1.5.0c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=[Se]
SMILESOpenEye OEToolkits1.5.0c1nc2c(n1C3C(C(C(O3)CO)O)O)N=CNC2=[Se]
InChIInChI1.03InChI=1S/C10H12N4O4Se/c15-1-4-6(16)7(17)10(18-4)14-3-13-5-8(14)11-2-12-9(5)19/h2-4,6-7,10,15-17H,1H2,(H,11,12,19)/t4-,6-,7-,10-/m1/s1
InChIKeyInChI1.03MXLAAGNIPFEHEI-KQYNXXCUSA-N

222415

件を2024-07-10に公開中

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