Name: Levothyroxine acyl glucuronide
Rating: 5 (10 reviews)

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HIT ID:HIT212673022
Cas No:909880-81-5
常用名:Levothyroxine acyl glucuronide
别名:Thyroxine acyl-β-D-glucuronide
IUPAC:(2S,3S,4S,5R,6S)-6-{[(2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
IUPAC:(2S,3S,4S,5R,6S)-6-{[(2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
InChI key:HMTFXPJOBPIOIN-DKBYMCRTSA-N

分子式:C21H19I4NO10
分子量:952.998
氢键供体数 (HBD):6
氢键受体数 (HBA):9
LogP:1.7783023
SMILES:N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O
SMILES:N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O

Levothyroxine acyl glucuronide (Thyroxine Acyl-β-D-glucuronide), the acyl glucuronide formation of thyroxine (T4), an endogenous metabolite.

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