Antibiotic C 1778B
AlkaPlorer ID: AK288310
Synonym: 3-(Hydroxymethyl)-7-[(5-hydroxy-5-oxopentanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-(Carboxybutanamido)deacetylcephalosporanic acid, C 1778B
IUPAC Name: 7-(4-carboxybutanoylamino)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Structure
SMILES: O=C(O)CCCC(O)=NC1C(=O)N2C(C(=O)O)=C(CO)CSC12
InChI: InChI=1S/C13H16N2O7S/c16-4-6-5-23-12-9(11(20)15(12)10(6)13(21)22)14-7(17)2-1-3-8(18)19/h9,12,16H,1-5H2,(H,14,17)(H,18,19)(H,21,22)
InChIKey: GRQXHIBWEUNUHL-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Cephalosporium | None | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 344.3450000000001
TPSA？: 147.73000000000002
MolLogP？: -0.1874999999999995
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|