epithienamycin E (CHEBI:91030)

CHEBI:91030 - epithienamycin E

ChEBI ID	CHEBI:91030
ChEBI Name	epithienamycin E
Stars
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.
Secondary ChEBI ID	CHEBI:6621
Last Modified	29 January 2016
Submitter	Steve
Downloads	Molfile

Formula	C13H16N2O8S2
Net Charge	0
Average Mass	392.411
Monoisotopic Mass	392.03481
SMILES	[H][C@@]1([C@H](C)OS(=O)(=O)O)C(=O)N2C(C(=O)O)=C(S/C=C/NC(C)=O)C[C@@]21[H]
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

Species of Metabolite	Component	Source	Comments
Solanum lycopersicum (ncbitaxon:4081)
	-	MetaboLights (MTBLS36)
	-	DOI (10.1038/sdata.2014.29)
Streptomyces olivaceus (ncbitaxon:47716)	-	Article (Brown,J. Antibiotics, 29, (1976), 668)	Strain: ATCC 21379

Roles Classification

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.

antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.

ChEBI Ontology

Outgoing Relation(s)
	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

Manual Xrefs	Databases
C00018092	KNApSAcK
C11755	KEGG COMPOUND