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CHEBI:183484 - 2-{[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]methylidene}malononitrile

ChEBI IDCHEBI:183484
ChEBI Name2-{[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]methylidene}malononitrile
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H17N3O5
Net Charge0
Average Mass271.273
Monoisotopic Mass271.11682
SMILESCN(C=C(C#N)C#N)CC(O)C(O)C(O)C(O)CO
WURCSWURCS=2.0/1,1,0/[hxxxxh_1*NC=CC#N/4C#N/2C]/1/
InChIInChI=1S/C11H17N3O5/c1-14(4-7(2-12)3-13)5-8(16)10(18)11(19)9(17)6-15/h4,8-11,15-19H,5-6H2,1H3
InChIKeyUISCZCOBXZDXOU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bombus terrestris (ncbitaxon:30195)
hindgut (BTO:0000510) MetaboLights (MTBLS3637)
hemolymph (BTO:0000572) MetaboLights (MTBLS3637)
brain (BTO:0000142) MetaboLights (MTBLS3637)
ChEBI Ontology
Outgoing Relation(s)
2-{[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]methylidene}malononitrile (CHEBI:183484) is a monosaccharide (CHEBI:35381)
IUPAC Name 
2-[[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]methylidene]propanedinitrile
Manual XrefsDatabases
2984969ChemSpider