Metabolites

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  1. L-Thyroxine, Agonist of Thyroid hormone receptor-α;Agonist of Thyroid hormone receptor-β
    Cas#: 51-48-9        Compound CID:  5819
    Formula:  C15H11I4NO4        Molecular Weight: 776.87
    IUPAC Name: (2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid
    SMILES: C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)CC(C(=O)O)N
    InChIKey: XUIIKFGFIJCVMT-LBPRGKRZSA-N
    InChI: InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1
    Synonyms: T4 | DivK1c_006967 | L-Thyroxine, free acid | Spectrum_001076 | 2ceo | Eutirox | L Thyroxine | LEVOTHYROXINE (USP-RS)...
  2. 3,3',5-Triiodo-L-thyronine, Thyroid hormone receptor agonist
    Cas#: 6893-02-3        Compound CID:  5920
    Formula:  C15H12I3NO4        Molecular Weight: 650.98
    IUPAC Name: (2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid
    SMILES: C1=CC(=C(C=C1OC2=C(C=C(C=C2I)CC(C(=O)O)N)I)I)O
    InChIKey: AUYYCJSJGJYCDS-LBPRGKRZSA-N
    InChI: InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1
    Synonyms: liothyronine|triiodothyronine|3,3',5-Triiodo-L-thyronine|6893-02-3|Tresitope|Liothyronin|3,5,3'-triiodothyronine|trio...
  3. 3,3′,5-Triiodothyroacetic acid, Agonist of Thyroid hormone receptor-α;Agonist of Thyroid hormone receptor-β
    Cas#: 51-24-1        Compound CID:  5803
    Formula:  C14H9I3O4        Molecular Weight: 621.93
    IUPAC Name: 2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetic acid
    SMILES: C1=CC(=C(C=C1OC2=C(C=C(C=C2I)CC(=O)O)I)I)O
    InChIKey: UOWZUVNAGUAEQC-UHFFFAOYSA-N
    InChI: InChI=1S/C14H9I3O4/c15-9-6-8(1-2-12(9)18)21-14-10(16)3-7(4-11(14)17)5-13(19)20/h1-4,6,18H,5H2,(H,19,20)
    Synonyms: Tiratricol|51-24-1|3,3',5-TRIIODOTHYROACETIC ACID|Triac|Triiodothyroacetic acid|Tiratricol [INN]|2-[4-(4-hydroxy-3-io...
  4. Acetylcholine, Agonist of M 1 receptor;Agonist of M 2 receptor;Agonist of M 3 receptor;Agonist of M 4 receptor;Agonist of M 5 receptor
    Cas#: 51-84-3        Compound CID:  187
    Formula:  C7H16NO2+        Molecular Weight: 146.21
    IUPAC Name: 2-acetyloxyethyl(trimethyl)azanium
    SMILES: CC(=O)OCC[N+](C)(C)C
    InChIKey: OIPILFWXSMYKGL-UHFFFAOYSA-N
    InChI: InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
    Synonyms: ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl | ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl- | KBio1_000686 | C01996 | ...
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