EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:182965 - 2-[(2-Amino-3-methylbutanoyl)amino]-3-hydroxy-4-[(3S,5S)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl]butanoic acid

ChEBI IDCHEBI:182965
ChEBI Name2-[(2-Amino-3-methylbutanoyl)amino]-3-hydroxy-4-[(3S,5S)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl]butanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H23N3O6
Net Charge0
Average Mass329.353
Monoisotopic Mass329.15869
SMILES[H][C@]12CC(=O)N1C[C@H](CC(O)C(NC(=O)C(N)C(C)C)C(=O)O)O2
InChIInChI=1S/C14H23N3O6/c1-6(2)11(15)13(20)16-12(14(21)22)8(18)3-7-5-17-9(19)4-10(17)23-7/h6-8,10-12,18H,3-5,15H2,1-2H3,(H,16,20)(H,21,22)/t7-,8?,10-,11?,12?/m0/s1
InChIKeyYCGXMNQNHBKSKZ-JVYUANJDSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
2-[(2-Amino-3-methylbutanoyl)amino]-3-hydroxy-4-[(3S,5S)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl]butanoic acid (CHEBI:182965) is a dipeptide (CHEBI:46761)
IUPAC Name 
2-[(2-amino-3-methylbutanoyl)amino]-3-hydroxy-4-[(3S,5S)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl]butanoic acid
Manual XrefsDatabases
C06668KEGG COMPOUND
30791255ChemSpider