CHEBI:91030 - epithienamycin E

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ChEBI Name epithienamycin E
ChEBI ID CHEBI:91030
Definition A member of the class of carbapenems that is (5R,6R)-3-{[(E)-2-aminoethenyl]sulfanyl}-6-[(1S)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid in which the free hydroxy and amino groups are carrying sulfo and acetyl substituents respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:6621
Supplier Information
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Formula C13H16N2O8S2
Net Charge 0
Average Mass 392.407
Monoisotopic Mass 392.03481
InChI InChI=1S/C13H16N2O8S2/c1-6(23-25(20,21)22)10-8-5-9(24-4-3-14-7(2)16)11(13(18)19)15(8)12(10)17/h3-4,6,8,10H,5H2,1-2H3,(H,14,16)(H,18,19)(H,20,21,22)/b4-3+/t6-,8+,10-/m0/s1
InChIKey FQQFFZPBGYGDSX-NJFHWYBASA-N
SMILES N12[C@@]([H])([C@](C1=O)([H])[C@@H](OS(O)(=O)=O)C)CC(=C2C(O)=O)S/C=C/NC(C)=O
Metabolite of Species Details
Solanum lycopersicum (NCBI:txid4081) See: MetaboLights Study
Solanum lycopersicum (NCBI:txid4081) See: DOI
Streptomyces olivaceus (NCBI:txid47716) of strain ATCC 21379 See: Brown,J. Antibiotics, 29, (1976), 668
Roles Classification
Biological Role(s): bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
antibacterial agent
A substance (or active part thereof) that kills or slows the growth of bacteria.
(via carbapenems )
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via heterocyclic antibiotic )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing epithienamycin E (CHEBI:91030) has role bacterial metabolite (CHEBI:76969)
epithienamycin E (CHEBI:91030) is a acetamides (CHEBI:22160)
epithienamycin E (CHEBI:91030) is a carbapenems (CHEBI:46633)
epithienamycin E (CHEBI:91030) is a organosulfonic acid (CHEBI:33551)
IUPAC Name
(5R,6R)-3-{[(E)-2-acetamidoethenyl]sulfanyl}-7-oxo-6-[(1S)-1-(sulfooxy)ethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Synonyms Sources
AB 110 D Antibiotic ChemIDplus
AB-110-D Antibiotic ChemIDplus
Antibiotic AB 110-D ChemIDplus
Antibiotic MM 13902 KNApSAcK
BRL 13902 KNApSAcK
MM 13,902 KNApSAcK
MM 13902 KNApSAcK
MM13902 KEGG COMPOUND
MM13902 KEGG COMPOUND
Manual Xrefs Databases
C00018092 KNApSAcK
C11755 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
6450866 Reaxys Registry Number Reaxys
79057-46-8 CAS Registry Number KEGG COMPOUND
79057-46-8 CAS Registry Number ChemIDplus
Last Modified
29 January 2016