EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:162669 - Pro-Thr-Glu

ChEBI IDCHEBI:162669
ChEBI NamePro-Thr-Glu
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H23N3O7
Net Charge0
Average Mass345.352
Monoisotopic Mass345.15360
SMILESC[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C14H23N3O7/c1-7(18)11(17-12(21)8-3-2-6-15-8)13(22)16-9(14(23)24)4-5-10(19)20/h7-9,11,15,18H,2-6H2,1H3,(H,16,22)(H,17,21)(H,19,20)(H,23,24)/t7-,8+,9+,11+/m1/s1
InChIKeyIURWWZYKYPEANQ-HJGDQZAQSA-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)
Pro-Thr-Glu (CHEBI:162669) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]pentanedioic acid