CHEBI:193085 - (3R)-3-isocyanylbutanoate

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (3R)-3-isocyanylbutanoate
ChEBI ID CHEBI:193085
ChEBI ASCII Name (3R)-3-isocyanylbutanoate
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C5H6NO2
Net Charge -1
Average Mass 112.109
Monoisotopic Mass 112.04040
InChI InChI=1S/C5H7NO2/c1-4(6-2)3-5(7)8/h4H,3H2,1H3,(H,7,8)/p-1/t4-/m1/s1
InChIKey IRAFDPURHLLFIK-SCSAIBSYSA-M
SMILES C[C@H](CC([O-])=O)[N+]#[C-]
ChEBI Ontology
Outgoing (3R)-3-isocyanylbutanoate (CHEBI:193085) is a (3R)-3-isocyanyl-fatty acid anion (CHEBI:193084)
(3R)-3-isocyanylbutanoate (CHEBI:193085) is a isocyanide (CHEBI:35353)
Synonym Source
(3R)-3-isocyanylbutanoate UniProt
Manual Xref Database
CPD-24900 MetaCyc accession
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Citation Waiting for Citations Type Source
33361191 PubMed citation SUBMITTER