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CHEBI:144403 - OA-6129 A

Default Structure
ChEBI IDCHEBI:144403
ChEBI NameOA-6129 A
Stars
Submittermwilliams
DownloadsMolfile
FormulaC20H31N3O7S
Net Charge0
Average Mass457.549
Monoisotopic Mass457.18827
SMILESCC[C@H]1C(=O)N2C(C(=O)O)=C(SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO)C[C@H]12
InChIInChI=1S/C20H31N3O7S/c1-4-11-12-9-13(15(19(29)30)23(12)18(11)28)31-8-7-21-14(25)5-6-22-17(27)16(26)20(2,3)10-24/h11-12,16,24,26H,4-10H2,1-3H3,(H,21,25)(H,22,27)(H,29,30)/t11-,12-,16+/m1/s1
InChIKeyAWQOXZYWBFPMRH-HSMVNMDESA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) liver (BTO:0000759) MetaboLights (MTBLS586) Strain: BALB/c [EFO:0000602]
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 A (CHEBI:144403) is a carbapenems (CHEBI:46633)
IUPAC Name 
(5R,6R)-3-[2-[3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulanyl]-6-ethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Manual XrefsDatabases
C20813KEGG COMPOUND