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CHEBI:31518 - Doripenem hydrate

Default Structure
ChEBI IDCHEBI:31518
ChEBI NameDoripenem hydrate
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC15H24N4O6S2.H2O
Net Charge0
Average Mass438.528
Monoisotopic Mass438.12429
SMILESO.[H][C@]12[C@@H](C)C(S[C@@H]3CN[C@H](CNS(N)(=O)=O)C3)=C(C(=O)O)N1C(=O)[C@]2([H])[C@@H](C)O
InChIInChI=1S/C15H24N4O6S2.H2O/c1-6-11-10(7(2)20)14(21)19(11)12(15(22)23)13(6)26-9-3-8(17-5-9)4-18-27(16,24)25;/h6-11,17-18,20H,3-5H2,1-2H3,(H,22,23)(H2,16,24,25);1H2/t6-,7-,8+,9+,10-,11-;/m1./s1
InChIKeyNTUBEBXBDGKBTJ-WGLOMNHJSA-N
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)
Doripenem hydrate (CHEBI:31518) is a carbapenems (CHEBI:46633)
Synonym  Source
Doripenem hydrateKEGG COMPOUND
Manual XrefsDatabases
D01836KEGG DRUG
Registry NumbersSources
CAS:364622-82-2KEGG COMPOUND