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CHEBI:176934 - OA-6129 C

Default Structure
ChEBI IDCHEBI:176934
ChEBI NameOA-6129 C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H31N3O11S2
Net Charge0
Average Mass553.612
Monoisotopic Mass553.14000
SMILES[H][C@@]1([C@H](C)OS(=O)(=O)O)C(=O)N2C(C(=O)O)=C(SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO)C[C@@]21[H]
InChIInChI=1S/C20H31N3O11S2/c1-10(34-36(31,32)33)14-11-8-12(15(19(29)30)23(11)18(14)28)35-7-6-21-13(25)4-5-22-17(27)16(26)20(2,3)9-24/h10-11,14,16,24,26H,4-9H2,1-3H3,(H,21,25)(H,22,27)(H,29,30)(H,31,32,33)/t10-,11+,14-,16-/m0/s1
InChIKeyGRWWKENHBQJAML-VAECKANCSA-N
Species of MetaboliteComponentSourceComments
Streptococcus mutans (ncbitaxon:1309) biofilm (BTO:0002690) MetaboLights (MTBLS3020) Strain: Streptococcus mutans UA159 [NCBI:txid210007]
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)
OA-6129 C (CHEBI:176934) is a carbapenems (CHEBI:46633)
IUPAC Name 
(5R,6R)-3-[2-[3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulanyl]-7-oxo-6-[(1S)-1-sulooxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Manual XrefsDatabases
C20814KEGG COMPOUND