Name: Trigalacturonic Acid
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212731844
Cas No:6037-45-2
常用名:Trigalacturonic Acid
IUPAC:(2S,3R,4R,5R,6S)-6-{[(1S,2R,3R,4R)-1-carboxy-1,3,4-trihydroxy-5-oxopentan-2-yl]oxy}-3-{[(2S,3R,4S,5R,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-4,5-dihydroxyoxane-2-carboxylic acid
IUPAC:(2S,3R,4R,5R,6S)-6-{[(1S,2R,3R,4R)-1-carboxy-1,3,4-trihydroxy-5-oxopentan-2-yl]oxy}-3-{[(2S,3R,4S,5R,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-4,5-dihydroxyoxane-2-carboxylic acid
InChI key:FMNDXLWVYMQMHF-XKLWFNJZSA-N

分子式:C18H26O19
分子量:546.387
氢键供体数 (HBD):11
氢键受体数 (HBA):19
LogP:-6.149208
SMILES:O[C@@H](C=O)[C@@H](O)[C@@H](O[C@H]1O[C@@H]([C@H](O[C@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)C(O)=O)[C@H](O)[C@H]1O)C(O)=O)[C@H](O)C(O)=O
SMILES:O[C@@H](C=O)[C@@H](O)[C@@H](O[C@H]1O[C@@H]([C@H](O[C@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)C(O)=O)[C@H](O)[C@H]1O)C(O)=O)[C@H](O)C(O)=O

Trigalacturonic acid is an oligosaccharide that inhibits proteinase activity in tomato plants (ED50 = 2.6 μg/plant).

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