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tenuazonic acid

AlkaPlorer ID: AK015625

Synonym: '', 'Tenuazonic acid', 'Pyrrole-2,4-diol, 3-acetyl-5-sec-butyl-'

IUPAC Name: (5S)-3-acetyl-5-[(2S)-butan-2-yl]pyrrolidine-2,4-dione

Structure

SMILES: CC[C@H](C)[C@@H]1N=C(O)C(C(C)=O)C1=O

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InChI: InChI=1S/C10H15NO3/c1-4-5(2)8-9(13)7(6(3)12)10(14)11-8/h5,7-8H,4H2,1-3H3,(H,11,14)/t5-,7?,8-/m0/s1

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InChIKey: KLBSRSYHIIAQTG-PZICIZFRSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Alternaria alternata Alternaria Pleosporaceae Pleosporales Dothideomycetes Ascomycota Fungi Eukaryota

Properties Information

Molecule Weight: 197.23399999999995

TPSA？: 66.73

MolLogP？: 1.1455

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT002228 CC(=O)CC(=O)[CoA].CC[C@H](C)[C@H](N)C(=O)O>>CC[C@H](C)[C@@H]1NC(=O)C(C(C)=O)C1=O RXN-18314