EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:186855 - Ethyl-L-NIO

ChEBI IDCHEBI:186855
ChEBI NameEthyl-L-NIO
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H19N3O2
Net Charge0
Average Mass201.270
Monoisotopic Mass201.14773
SMILESCCC/C(N)=N\CCC[C@H](N)C(=O)O
InChIInChI=1S/C9H19N3O2/c1-2-4-8(11)12-6-3-5-7(10)9(13)14/h7H,2-6,10H2,1H3,(H2,11,12)(H,13,14)/t7-/m0/s1
InChIKeyKRILJVOCVSUPMA-ZETCQYMHSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Ethyl-L-NIO (CHEBI:186855) is a L-α-amino acid (CHEBI:15705)
IUPAC Name 
(2S)-2-amino-5-(1-aminobutylideneamino)pentanoic acid
Manual XrefsDatabases
4451494ChemSpider