EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:159844 - Asn-Ile-Gln

ChEBI IDCHEBI:159844
ChEBI NameAsn-Ile-Gln
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H27N5O6
Net Charge0
Average Mass373.410
Monoisotopic Mass373.19613
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C15H27N5O6/c1-3-7(2)12(20-13(23)8(16)6-11(18)22)14(24)19-9(15(25)26)4-5-10(17)21/h7-9,12H,3-6,16H2,1-2H3,(H2,17,21)(H2,18,22)(H,19,24)(H,20,23)(H,25,26)/t7-,8-,9-,12-/m0/s1
InChIKeyPHJPKNUWWHRAOC-PEFMBERDSA-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)
Asn-Ile-Gln (CHEBI:159844) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoic acid