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CHEBI:51799 - imipenem hydrate

Default Structure
ChEBI IDCHEBI:51799
ChEBI Nameimipenem hydrate
Stars
Last Modified4 February 2009
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC12H17N3O4S.H2O
Net Charge0
Average Mass317.367
Monoisotopic Mass317.10454
SMILES[H]C(=N)NCCSC1=C(C(=O)O)N2C(=O)[C@]([H])([C@@H](C)O)[C@@]2([H])C1.[H]O[H]
InChIInChI=1S/C12H17N3O4S.H2O/c1-6(16)9-7-4-8(20-3-2-14-5-13)10(12(18)19)15(7)11(9)17;/h5-7,9,16H,2-4H2,1H3,(H2,13,14)(H,18,19);1H2/t6-,7-,9-;/m1./s1
InChIKeyGSOSVVULSKVSLQ-JJVRHELESA-N
Wikipedia
Roles Classification
Biological Roles:
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.
ChEBI Ontology
Outgoing Relation(s)
imipenem hydrate (CHEBI:51799) has part imipenem (CHEBI:471744)
imipenem hydrate (CHEBI:51799) is a carbapenems (CHEBI:46633)
IUPAC Name 
(5R,6S)-6-[(1R)-1-hydroxyethyl]-3-({2-[(iminomethyl)amino]ethyl}sulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid—water (1/1)
INN  Source
imipenemChemIDplus
Synonym  Source
N-formimidoyl thienamycin monohydratePatent
Manual XrefsDatabases
EP6639Patent
IE48356Patent
ImipenemWikipedia
JP55009090Patent
Registry NumbersSources
Beilstein:8174596Beilstein
CAS:74431-23-5ChemIDplus