EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:159560 - Asn-Asn-Asp

ChEBI IDCHEBI:159560
ChEBI NameAsn-Asn-Asp
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](N)CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C12H19N5O8/c13-4(1-7(14)18)10(22)16-5(2-8(15)19)11(23)17-6(12(24)25)3-9(20)21/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
InChIKeyKSBHCUSPLWRVEK-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)
Asn-Asn-Asp (CHEBI:159560) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-4-amino-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]butanedioic acid