Pluracidomycin A1 

AlkaPlorer ID: AK310761

Synonym: PA 41746A1, SF 2103A, Antibiotic PA 41746A1, Antibiotic SF 2103A 

IUPAC Name: 7-oxo-3-sulfo-6-(1-sulfooxyethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Structure

SMILES: CC(OS(=O)(=O)O)C1C(=O)N2C(C(=O)O)=C(S(=O)(=O)O)CC12

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InChI: InChI=1S/C9H11NO10S2/c1-3(20-22(17,18)19)6-4-2-5(21(14,15)16)7(9(12)13)10(4)8(6)11/h3-4,6H,2H2,1H3,(H,12,13)(H,14,15,16)(H,17,18,19)

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InChIKey: KSUVJVOKUIADCL-UHFFFAOYSA-N

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Reference

PubChem CID: 13048763

CAS: 82138-64-5

COCONUT: CNP0186730.2

Properties Information

Molecule Weight: 357.3180000000001

TPSA: 175.58

MolLogP: -1.390999999999999

Number of H-Donors: 3

Number of H-Acceptors: 7

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information