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UAH

概要
表記:(5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate
別名:4'-deformyl pyidoxal phosphote
組成式:C7 H10 N O5 P
電荷:0
化学式量:219.132 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(5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate
OpenEye OEToolkits2.0.4(6-methyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs12.01Cc1ncc(cc1O)COP(O)(O)=O
InChIInChI1.03InChI=1S/C7H10NO5P/c1-5-7(9)2-6(3-8-5)4-13-14(10,11)12/h2-3,9H,4H2,1H3,(H2,10,11,12)
InChIKeyInChI1.03CKIPHKBHPIDPOG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1ncc(CO[P](O)(O)=O)cc1O
SMILESCACTVS3.385Cc1ncc(CO[P](O)(O)=O)cc1O
SMILES_CANONICALOpenEye OEToolkits2.0.4Cc1c(cc(cn1)COP(=O)(O)O)O
SMILESOpenEye OEToolkits2.0.4Cc1c(cc(cn1)COP(=O)(O)O)O

226262

件を2024-10-16に公開中

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