Vulgaxanthin-I

AlkaPlorer ID: AK022977

Synonym: '', 'Vulgaxanthin I', 'Vulgaxanthin-I'

IUPAC Name: (2S,4E)-4-[2-[(1R)-4-amino-1-carboxy-4-oxobutyl]iminoethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid

Structure

SMILES: NC(=O)CC[C@@H](/N=C\C=C1\C=C(C(=O)O)N[C@H](C(=O)O)C1)C(=O)O

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InChI: InChI=1S/C14H17N3O7/c15-11(18)2-1-8(12(19)20)16-4-3-7-5-9(13(21)22)17-10(6-7)14(23)24/h3-5,8,10,17H,1-2,6H2,(H2,15,18)(H,19,20)(H,21,22)(H,23,24)/b7-3-,16-4-/t8-,10+/m1/s1

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InChIKey: PDBJJFJKNSKTSW-XTQUVLRFSA-N

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Source

Properties Information

Molecule Weight: 339.3040000000001

TPSA: 179.38

MolLogP: -0.8826999999999987

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