EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:160349 - Asp-Arg-Thr

ChEBI IDCHEBI:160349
ChEBI NameAsp-Arg-Thr
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H26N6O7
Net Charge0
Average Mass390.397
Monoisotopic Mass390.18630
SMILESC[C@@H](O)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(=O)O)C(=O)O
InChIInChI=1S/C14H26N6O7/c1-6(21)10(13(26)27)20-12(25)8(3-2-4-18-14(16)17)19-11(24)7(15)5-9(22)23/h6-8,10,21H,2-5,15H2,1H3,(H,19,24)(H,20,25)(H,22,23)(H,26,27)(H4,16,17,18)/t6-,7+,8+,10+/m1/s1
InChIKeyNYLBGYLHBDFRHL-VEVYYDQMSA-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-Arg-Thr (CHEBI:160349) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S)-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-oxobutanoic acid