Antibiotic C4; Ac
AlkaPlorer ID: AK288304
Synonym: Antibiotic C2, 7-(5-Oxoadipamido)cephalosporanic acid
IUPAC Name: 3-(acetyloxymethyl)-7-[(5-carboxy-5-oxopentanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Structure
SMILES: CC(=O)OCC1=C(C(=O)O)N2C(=O)C(N=C(O)CCCC(=O)C(=O)O)C2SC1
InChI: InChI=1S/C16H18N2O9S/c1-7(19)27-5-8-6-28-14-11(13(22)18(14)12(8)16(25)26)17-10(21)4-2-3-9(20)15(23)24/h11,14H,2-6H2,1H3,(H,17,21)(H,23,24)(H,25,26)
InChIKey: UKRMDFPJXIVYCZ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Cephalosporium | None | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 414.3920000000002
TPSA？: 170.86999999999998
MolLogP？: -0.0475999999999997
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|