Metabolites

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  1. Retinoic acid
    Cas#: 302-79-4        Compound CID:  444795
    Formula:  C20H28O2        Molecular Weight: 300.44
    IUPAC Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid
    SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C
    InChIKey: SHGAZHPCJJPHSC-YCNIQYBTSA-N
    InChI: InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
    Synonyms: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid | TRETINOIN COMPONENT OF...
  2. L-dopa, Agonist of GPR143
    Cas#: 59-92-7        Compound CID:  6047
    Formula:  C9H11NO4        Molecular Weight: 197.19
    IUPAC Name: (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid
    SMILES: C1=CC(=C(C=C1CC(C(=O)O)N)O)O
    InChIKey: WTDRDQBEARUVNC-LURJTMIESA-N
    InChI: InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1
    Synonyms: Eldopatec | Insulamina | NSC 118381 | levodopa | LEVODOPA [MART.] | L-o-Hydroxytyrosine | beta-(3,4-Dihydroxyphenyl)a...
  3. L-dopa
    Cas#: 59-92-7        Compound CID:  6047
    Formula:  C9H11NO4        Molecular Weight: 197.19
    IUPAC Name: (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid
    SMILES: C1=CC(=C(C=C1CC(C(=O)O)N)O)O
    InChIKey: WTDRDQBEARUVNC-LURJTMIESA-N
    InChI: InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1
    Synonyms: 3-(3,4-Dihydroxyphenyl)-L-alanine | Levodopa | 3-Hydroxy-L-tyrosine
  4. Spermine, Agonist of CaS receptor;Channel blocker of K ir2.1;Channel blocker of K ir2.3;Agonist of Retinoic acid receptor-α;Agonist of Retinoic acid receptor-β;Agonist of Retinoic acid receptor-γ;Channel blocker of TRPM4;Channel blocker of TRPM5;Channel blocker of
    Cas#: 71-44-3        Compound CID:  1103
    Formula:  C10H26N4        Molecular Weight: 202.34
    IUPAC Name: N,N'-bis(3-aminopropyl)butane-1,4-diamine
    SMILES: C(CCNCCCN)CNCCCN
    InChIKey: PFNFFQXMRSDOHW-UHFFFAOYSA-N
    InChI: InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2
    Synonyms: AS-35114 | n1,n1'-(butane-1,4-diyl)dipropane-1,3-diamine | 2FZ7Y3VOQX | BPBio1_001086 | SMR001397086 | 1,4-Bis(aminop...
  5. Retinoic acid, Retinoic acid receptor agonist
    Cas#: 302-79-4        Compound CID:  444795
    Formula:  C20H28O2        Molecular Weight: 300.44
    IUPAC Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid
    SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C
    InChIKey: SHGAZHPCJJPHSC-YCNIQYBTSA-N
    InChI: InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
    Synonyms: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid | TRETINOIN COMPONENT OF...
  6. L-dopa, Dopamine D3 receptor agonist
    Cas#: 59-92-7        Compound CID:  6047
    Formula:  C9H11NO4        Molecular Weight: 197.19
    IUPAC Name: (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid
    SMILES: C1=CC(=C(C=C1CC(C(=O)O)N)O)O
    InChIKey: WTDRDQBEARUVNC-LURJTMIESA-N
    InChI: InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1
    Synonyms: levodopa | L-dopa | 3,4-dihydroxy-L-phenylalanine | 3-Hydroxy-L-tyrosine | 3,4-Dihydroxyphenylalanine | Dopar | 3-(3,...
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