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CHEBI:177704 - L-Alanyl-3-{[(2E)-4-amino-4-oxo-2-butenoyl]amino}-L-alanine

ChEBI IDCHEBI:177704
ChEBI NameL-Alanyl-3-{[(2E)-4-amino-4-oxo-2-butenoyl]amino}-L-alanine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H16N4O5
Net Charge0
Average Mass272.261
Monoisotopic Mass272.11207
SMILESC[C@H](N)C(=O)N[C@@H](CNC(=O)/C=C/C(N)=O)C(=O)O
InChIInChI=1S/C10H16N4O5/c1-5(11)9(17)14-6(10(18)19)4-13-8(16)3-2-7(12)15/h2-3,5-6H,4,11H2,1H3,(H2,12,15)(H,13,16)(H,14,17)(H,18,19)/b3-2+/t5-,6-/m0/s1
InChIKeyGDQNPKRTTCRUSH-KXQHVCLCSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
L-Alanyl-3-{[(2E)-4-amino-4-oxo-2-butenoyl]amino}-L-alanine (CHEBI:177704) is a dipeptide (CHEBI:46761)
IUPAC Name 
(2S)-3-[[(E)-4-amino-4-oxobut-2-enoyl]amino]-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid
Manual XrefsDatabases
4944205ChemSpider
Registry NumbersSources
CAS:87768-72-7ChemIDplus