S-[(E)-Prop-1-enyl]-L-cysteine S-oxide

AlkaPlorer ID: AK013557

Synonym: ''

IUPAC Name: (2R)-2-amino-3-[(E)-prop-1-enyl]sulfinylpropanoic acid

Structure

SMILES: C/C=C/S(=O)C[C@H](N)C(=O)O

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InChI: InChI=1S/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2-3,5H,4,7H2,1H3,(H,8,9)/b3-2+/t5-,11?/m0/s1

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InChIKey: OKYHUOHBRKWCQJ-FTJYXMLISA-N

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Properties Information

Molecule Weight: 177.22499999999997

TPSA: 80.39

MolLogP: -0.3193999999999999

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus subtilis Bacillus subtilis Activity None None 10.1021/np50096a009
Escherichia coli Escherichia coli Activity None None 10.1021/np50096a009
Micrococcus luteus Micrococcus luteus Activity None None 10.1021/np50096a009
Penicillium oxalicum Penicillium oxalicum Activity None None 10.1021/np50096a009

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT001496 C/C=C/S(=O)C[C@H](N)C(=O)O>>C/C=C/SO RXN-8909
AKRT001497 C/C=C/S(=O)C[C@H](N)C(=O)O>>C=C(N)C(=O)O RXN-8909
AKRT001498 C/C=C/S(=O)C[C@H](N)C(=O)O>>C=CCSC[C@H](N)C(=O)O MNXR177350
AKRT001499 C/C=C/SC[C@H](N)C(=O)O>>C/C=C/S(=O)C[C@H](N)C(=O)O RXN-8910
AKRT001502 C/C=C/SO.CC(=O)C(=O)O>>C/C=C/S(=O)C[C@H](N)C(=O)O MNXR177349