Muscaaurin VII

AlkaPlorer ID: AK267465

Synonym: Histidinebetaxanthin

IUPAC Name: 4-[2-[1-carboxy-2-(1H-imidazol-5-yl)ethyl]iminoethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid

Structure

SMILES: O=C(O)C1=CC(=CC=NC(CC2=CN=CN2)C(=O)O)CC(C(=O)O)N1

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InChI: InChI=1S/C15H16N4O6/c20-13(21)10(5-9-6-16-7-18-9)17-2-1-8-3-11(14(22)23)19-12(4-8)15(24)25/h1-3,6-7,10,12,19H,4-5H2,(H,16,18)(H,20,21)(H,22,23)(H,24,25)

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InChIKey: BSRYRWSRAZYVFS-UHFFFAOYSA-N

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Reference

PubChem CID: 163035668

COCONUT: CNP0315223

Properties Information

Molecule Weight: 348.31500000000005

TPSA: 164.97

MolLogP: -0.1823999999999992

Number of H-Donors: 5

Number of H-Acceptors: 6

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information