EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:77894 - aci-nitroethane

ChEBI IDCHEBI:77894
ChEBI Nameaci-nitroethane
Stars
ASCII Nameaci-nitroethane
DefinitionAn aci-nitro compound that is the predominant form of ethylnitronate at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified22 March 2017
SubmitterKAX
DownloadsMolfile
FormulaC2H5NO2
Net Charge0
Average Mass75.067
Monoisotopic Mass75.03203
SMILESC/C=[N+](\[O-])O
InChIInChI=1S/C2H5NO2/c1-2-3(4)5/h2H,1H3,(H,4,5)
InChIKeyCPZLOQHKKRZRSD-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
aci-nitroethane (CHEBI:77894) is a aci-nitro compound (CHEBI:136622)
aci-nitroethane (CHEBI:77894) is conjugate acid of aci-nitroethane(1−) (CHEBI:55327)
aci-nitroethane (CHEBI:77894) is tautomer of nitroethane (CHEBI:16268)
Incoming Relation(s)
aci-nitroethane(1−) (CHEBI:55327) is conjugate base of aci-nitroethane (CHEBI:77894)
nitroethane (CHEBI:16268) is tautomer of aci-nitroethane (CHEBI:77894)
IUPAC Name 
ethylideneazinic acid
Synonym  Source
ethylnitronate ylideChEBI
UniProt Name  Source
ethylnitronateUniProt