Vulgaxanthin II; 5-Alcohol

AlkaPlorer ID: AK317847

Synonym: Humilixanthin

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

Structure

SMILES: O=C(O)C1=CC(=CC=NC(CCCO)C(=O)O)CC(C(=O)O)N1

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InChI: InChI=1S/C14H18N2O7/c17-5-1-2-9(12(18)19)15-4-3-8-6-10(13(20)21)16-11(7-8)14(22)23/h3-4,6,9,11,16-17H,1-2,5,7H2,(H,18,19)(H,20,21)(H,22,23)

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InChIKey: RVPIQBBRHBAQKG-UHFFFAOYSA-N

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Reference

PubChem CID: 135499070

CAS: 111534-70-4

COCONUT: CNP0192864.3

Properties Information

Molecule Weight: 326.30499999999995

TPSA: 156.52

MolLogP: -0.375699999999999

Number of H-Donors: 5

Number of H-Acceptors: 6

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information