carbapenem MM22383 (CHEBI:58998)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:58998 - carbapenem MM22383

Take structure to advanced search

ChEBI ID	CHEBI:58998
ChEBI Name	carbapenem MM22383
Stars
Definition	A carbapenemcarboxylic acid having a 2-(acetamidovinyl)sulfanyl group at the 2-position and an (S)-1-hydroxyethyl group at the 6-position.
Last Modified	21 December 2015
Submitter	Steve
Downloads	Molfile

Formula	C13H16N2O5S
Net Charge	0
Average Mass	312.347
Monoisotopic Mass	312.07799
SMILES	[H][C@]12CC(S/C=C/NC(C)=O)=C(C(=O)O)N1C(=O)[C@]2([H])[C@H](C)O
InChI	InChI=1S/C13H16N2O5S/c1-6(16)10-8-5-9(21-4-3-14-7(2)17)11(13(19)20)15(8)12(10)18/h3-4,6,8,10,16H,5H2,1-2H3,(H,14,17)(H,19,20)/b4-3+/t6-,8+,10+/m0/s1
InChIKey	PRPNUZWHFGSGRV-RZFSBTTISA-N

Roles Classification

Chemical Role:	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:	drug allergen Any drug which causes the onset of an allergic reaction. antibacterial drug A drug used to treat or prevent bacterial infections. 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. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
Applications:	drug allergen Any drug which causes the onset of an allergic reaction. antibacterial drug A drug used to treat or prevent bacterial infections.

ChEBI Ontology

Outgoing Relation(s)
	carbapenem MM22383 (CHEBI:58998) has role antibacterial drug (CHEBI:36047)
	carbapenem MM22383 (CHEBI:58998) has role drug allergen (CHEBI:88188)
	carbapenem MM22383 (CHEBI:58998) is a carbapenemcarboxylic acid (CHEBI:46634)
	carbapenem MM22383 (CHEBI:58998) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)

IUPAC Name
(5R,6S)-2-{[(E)-2-acetamidovinyl]sulfanyl}-6-[(1S)-1-hydroxyethyl]-2,3-didehydro-1-carbapenam-3-carboxylic acid

Synonyms	Source
(5R,6S)-3-{[(E)-2-acetamidovinyl]sulfanyl}-6-[(1S)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid	IUPAC
MM22383	ChEBI

Manual Xrefs	Databases
C17398	KEGG COMPOUND

Registry Numbers	Sources
Beilstein:497581	Beilstein
CAS:65322-98-7	KEGG COMPOUND

Citations