Compound ID | 3118

Update compound information

C-2801X

Synonym(s): C2801X

Class: Beta-lactam

Spectrum of activity: Gram-positive  &  Gram-negative
Details of activity: Active against Klebsiella pneumoniae, Salmonella typhimurium, Salmonella enteritidis, Alcaligenes faecalis, and multidrug-resistant Staphylococcus aureus (weak activity)
Description: Natural product from Streptomyces heteromorphus and Streptomyces panayensis; cephamycin type
Institute where first reported: Medicinal Research Laboratories, Central Research Division, Takeda Chemical Industries, Ltd.
Year first mentioned: 1976
Development status: Experimental
Chemical structure(s):
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Molecular weight: 595.58
Iso. SMILES: CO/C(=C\C1=CC(=C(C=C1)O)O)/C(=O)OCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)CCC[C@H](C(=O)O)N)OC)SC2)C(=O)O
InChI Key: NJZVVAVNQYLLCW-AATDYCFQSA-N
Can. SMILES: CO/C(=C\C1=CC=C(C(=C1)O)O)/C(=O)OCC2=C(C(=O)O)N3C(=O)[C@]([C@H]3SC2)(NC(=O)CCC[C@H](C(=O)O)N)OC
InChI: InChI=1S/C25H29N3O12S/c1-38-17(9-12-6-7-15(29)16(30)8-12)22(36)40-10-13-11-41-24-25(39-2,23(37)28(24)19(13)21(34)35)27-18(31)5-3-4-14(26)20(32)33/h6-9,14,24,29-30H,3-5,10-11,26H2,1-2H3,(H,27,31)(H,32,33)(H,34,35)/b17-9-/t14-,24-,25+/m1/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/6443559
Citation: https://www.jstage.jst.go.jp/article/antibiotics1968/29/2/29_2_113/_article/-char/en

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