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CHEBI:6770 - meropenem trihydrate

ChEBI IDCHEBI:6770
ChEBI Namemeropenem trihydrate
Stars
Last Modified22 September 2008
DownloadsMolfile
FormulaC17H25N3O5S.3H2O
Net Charge0
Average Mass437.515
Monoisotopic Mass437.18319
SMILES[H]O[H].[H]O[H].[H]O[H].[H][C@]12[C@@H](C)C(S[C@@H]3CN[C@H](C(=O)N(C)C)C3)=C(C(=O)O)N1C(=O)[C@]2([H])[C@@H](C)O
InChIInChI=1S/C17H25N3O5S.3H2O/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4;;;/h7-12,18,21H,5-6H2,1-4H3,(H,24,25);3*1H2/t7-,8-,9+,10+,11-,12-;;;/m1.../s1
InChIKeyCTUAQTBUVLKNDJ-OBZXMJSBSA-N
Roles Classification
Biological Role:
antibacterial drug  A drug used to treat or prevent bacterial infections.
Application:
antibacterial drug  A drug used to treat or prevent bacterial infections.
ChEBI Ontology
Outgoing Relation(s)
meropenem trihydrate (CHEBI:6770) has part meropenem (CHEBI:43968)
meropenem trihydrate (CHEBI:6770) has role antibacterial drug (CHEBI:36047)
meropenem trihydrate (CHEBI:6770) is a hydrate (CHEBI:35505)
IUPAC Name 
(6S)-2-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-1β-methyl-2,3-didehydro-1-carbapenam-3-carboxylic acid—water (1:3)
INN  Source
MeronemDrugBank
Brand Name  Source
MerremDrugBank
Manual XrefsDatabases
D02222KEGG DRUG
DB00760DrugBank
Registry NumbersSources
CAS:119478-56-7ChemIDplus