CHEBI:81042 - OA-6129 D

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ChEBI Name OA-6129 D
ChEBI ID CHEBI:81042
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H33N3O8S
Net Charge 0
Average Mass 475.558
Monoisotopic Mass 475.19884
InChI InChI=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
InChIKey IDHUQZYNJINFBS-VWLVWCDXSA-N
SMILES N12[C@@]([C@](C(C)O)(C1=O)[H])(C[C@@H]([C@@H]2C(O)=O)SCCNC(CCNC([C@@H](C(CO)(C)C)O)=O)=O)[H]
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 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 Xref Database
C17375 KEGG COMPOUND
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Registry Number Type Source
85414-25-1 CAS Registry Number KEGG COMPOUND
Last Modified
07 August 2018