CHEBI:31518 - Doripenem hydrate

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ChEBI Name Doripenem hydrate
ChEBI ID CHEBI:31518
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C15H24N4O6S2.H2O
C15H26N4O7S2
Net Charge 0
Average Mass 438.522
Monoisotopic Mass 438.12429
InChI InChI=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
InChIKey NTUBEBXBDGKBTJ-WGLOMNHJSA-N
SMILES O.[C@@H]1(SC2=C(N3C([C@]([C@]3([C@H]2C)[H])([H])[C@@H](C)O)=O)C(O)=O)CN[C@@H](C1)CNS(N)(=O)=O
Roles Classification
Biological Role(s): antibacterial agent
A substance (or active part thereof) that kills or slows the growth of bacteria.
(via carbapenems )
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via heterocyclic antibiotic )
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ChEBI Ontology
Outgoing Doripenem hydrate (CHEBI:31518) is a carbapenems (CHEBI:46633)
Synonym Source
Doripenem hydrate KEGG COMPOUND
Manual Xref Database
D01836 KEGG DRUG
View more database links
Registry Number Type Source
364622-82-2 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017