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CHEBI:165868 - L-Acetopine

ChEBI IDCHEBI:165868
ChEBI NameL-Acetopine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H16N4O4
Net Charge0
Average Mass232.240
Monoisotopic Mass232.11715
SMILESNC(N)=NCCCC(NCC(=O)O)C(=O)O
InChIInChI=1S/C8H16N4O4/c9-8(10)11-3-1-2-5(7(15)16)12-4-6(13)14/h5,12H,1-4H2,(H,13,14)(H,15,16)(H4,9,10,11)
InChIKeyLJNDQMBPIQGDNB-UHFFFAOYSA-N
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)
L-Acetopine (CHEBI:165868) is a α-amino acid (CHEBI:33704)
IUPAC Name 
2-(carboxymethylamino)-5-(diaminomethylideneamino)pentanoic acid
Manual XrefsDatabases
HMDB0039111HMDB
11545330ChemSpider