EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:160361 - Asp-Asn-Asn

ChEBI IDCHEBI:160361
ChEBI NameAsp-Asn-Asn
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H19N5O8
Net Charge0
Average Mass361.311
Monoisotopic Mass361.12336
SMILESNC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC(=O)O)C(=O)O
InChIInChI=1S/C12H19N5O8/c13-4(1-9(20)21)10(22)16-5(2-7(14)18)11(23)17-6(12(24)25)3-8(15)19/h4-6H,1-3,13H2,(H2,14,18)(H2,15,19)(H,16,22)(H,17,23)(H,20,21)(H,24,25)/t4-,5-,6-/m0/s1
InChIKeyUQBGYPFHWFZMCD-ZLUOBGJFSA-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)
Asp-Asn-Asn (CHEBI:160361) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S)-4-amino-1-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]-1,4-dioxobutan-2-yl]amino]-4-oxobutanoic acid