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BG6

概要
表記:6-O-phosphono-beta-D-glucopyranose
別名:BETA-D-GLUCOSE-6-PHOSPHATE
6-O-phosphono-beta-D-glucose; 6-O-phosphono-D-glucose; 6-O-phosphono-glucose
組成式:C6 H13 O9 P
電荷:0
化学式量:260.136 Da
分子種別:D-saccharide, beta linking

化合物名

プログラムバージョン表記
ACDLabs10.046-O-phosphono-beta-D-glucopyranose
OpenEye OEToolkits1.5.0[(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate
PDB-CARE1.0b-D-Glcp6PO3

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=P(O)(O)OCC1OC(O)C(O)C(O)C1O
SMILES_CANONICALCACTVS3.341O[C@@H]1O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O
SMILESCACTVS3.341O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O
SMILESOpenEye OEToolkits1.5.0C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O
InChIInChI1.03InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1
InChIKeyInChI1.03NBSCHQHZLSJFNQ-VFUOTHLCSA-N

227111

件を2024-11-06に公開中

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