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CHEBI:81042 - OA-6129 D

Default Structure
ChEBI IDCHEBI:81042
ChEBI NameOA-6129 D
Stars
Last Modified7 August 2018
DownloadsMolfile
FormulaC20H33N3O8S
Net Charge0
Average Mass475.564
Monoisotopic Mass475.19884
SMILES[H][C@@]1(C(C)O)C(=O)N2[C@@H](C(=O)O)[C@@H](SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO)C[C@@]21[H]
InChIInChI=1S/C20H33N3O8S/c1-10(25)14-11-8-12(15(19(30)31)23(11)18(14)29)32-7-6-21-13(26)4-5-22-17(28)16(27)20(2,3)9-24/h10-12,14-16,24-25,27H,4-9H2,1-3H3,(H,21,26)(H,22,28)(H,30,31)/t10?,11-,12+,14+,15-,16+/m1/s1
InChIKeyIDHUQZYNJINFBS-VWLVWCDXSA-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)
OA-6129 D (CHEBI:81042) is a carbapenems (CHEBI:46633)
IUPAC Name 
(2S,3S,5R,6R)-3-{[2-({N-[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]-β-alanyl}amino)ethyl]sulfanyl}-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Manual XrefsDatabases
C17375KEGG COMPOUND
Registry NumbersSources
CAS:85414-25-1KEGG COMPOUND