holomycin

AlkaPlorer ID: AK019459

Synonym: None

IUPAC Name: N-(5-oxo-4H-dithiolo[4,3-b]pyrrol-6-yl)acetamide

Structure

SMILES: CC(O)=NC1=C2SSC=C2N=C1O

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InChI: InChI=1S/C7H6N2O2S2/c1-3(10)8-5-6-4(2-12-13-6)9-7(5)11/h2H,1H3,(H,8,10)(H,9,11)

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InChIKey: HBUNPJGMNVQSBX-UHFFFAOYSA-N

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Source

Properties Information

Molecule Weight: 214.271

TPSA: 65.71000000000001

MolLogP: 2.6229

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Staphylococcus epidermidis Staphylococcus epidermidis Activity nan None 10.1128/aac.00343-07
Staphylococcus epidermidis Staphylococcus epidermidis MBC 50.0 ug ml-1 10.1128/aac.00343-07
Staphylococcus epidermidis Staphylococcus epidermidis MIC 12.5 ug.mL-1 10.1128/aac.00343-07
Staphylococcus epidermidis Staphylococcus epidermidis Ratio 4.0 None 10.1128/aac.00343-07
None Unchecked IC50 100.0 ug.mL-1 10.1128/aac.00343-07

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT002335 CC(=O)NC1=C(S)/C(=C\S)NC1=O>>CC(=O)Nc1c2sscc-2[nH]c1=O RXN-16870
AKRT004730 CC(=O)[CoA].Nc1c2sscc-2[nH]c1=O>>CC(=O)Nc1c2sscc-2[nH]c1=O RXN-16663