CHEBI:43741 - {[5-(5-nitro-2-furyl)-1,3,4-oxadiazol-2-yl]thio}acetic acid

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ChEBI Name {[5-(5-nitro-2-furyl)-1,3,4-oxadiazol-2-yl]thio}acetic acid
ChEBI ID CHEBI:43741
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C8H5N3O6S
Net Charge 0
Average Mass 271.20700
Monoisotopic Mass 270.98991
InChI InChI=1S/C8H5N3O6S/c12-6(13)3-18-8-10-9-7(17-8)4-1-2-5(16-4)11(14)15/h1-2H,3H2,(H,12,13)
InChIKey ITBNJCVIFHSKRL-UHFFFAOYSA-N
SMILES OC(=O)CSc1nnc(o1)-c1ccc(o1)[N+]([O-])=O
ChEBI Ontology
Outgoing {[5-(5-nitro-2-furyl)-1,3,4-oxadiazol-2-yl]thio}acetic acid (CHEBI:43741) has functional parent acetic acid (CHEBI:15366)
{[5-(5-nitro-2-furyl)-1,3,4-oxadiazol-2-yl]thio}acetic acid (CHEBI:43741) is a 1,3,4-oxadiazoles (CHEBI:46810)
{[5-(5-nitro-2-furyl)-1,3,4-oxadiazol-2-yl]thio}acetic acid (CHEBI:43741) is a C-nitro compound (CHEBI:35716)
{[5-(5-nitro-2-furyl)-1,3,4-oxadiazol-2-yl]thio}acetic acid (CHEBI:43741) is a furans (CHEBI:24129)
IUPAC Name
{[5-(5-nitrofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetic acid
Synonym Source
{[5-(5-NITRO-2-FURYL)-1,3,4-OXADIAZOL-2-YL]THIO}ACETIC ACID PDBeChem
Manual Xrefs Databases
DB08098 DrugBank
LIT PDBeChem
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Registry Number Type Source
4845930 Beilstein Registry Number Beilstein
Last Modified
03 February 2011