Stizolobic acid; (±)-form

AlkaPlorer ID: AK314460

Synonym: None

IUPAC Name: 4-(2-amino-2-carboxyethyl)-6-oxopyran-2-carboxylic acid

Structure

SMILES: NC(CC1=CC(=O)OC(C(=O)O)=C1)C(=O)O

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InChI: InChI=1S/C9H9NO6/c10-5(8(12)13)1-4-2-6(9(14)15)16-7(11)3-4/h2-3,5H,1,10H2,(H,12,13)(H,14,15)

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InChIKey: KQZBVNZAEQASKU-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 227.172

TPSA: 130.83

MolLogP: -0.7075999999999996

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT018608 N[C@@H](CC(=C/C=O)/C=C(/O)C(=O)O)C(=O)O>>NC(Cc1cc(C(=O)O)oc(=O)c1)C(=O)O RXN-12858