EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:163942 - Thr-His-Gly

ChEBI IDCHEBI:163942
ChEBI NameThr-His-Gly
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H19N5O5
Net Charge0
Average Mass313.314
Monoisotopic Mass313.13862
SMILESC[C@@H](O)[C@H](N)C(=O)N[C@@H](Cc1cncn1)C(=O)NCC(=O)O
InChIInChI=1S/C12H19N5O5/c1-6(18)10(13)12(22)17-8(2-7-3-14-5-16-7)11(21)15-4-9(19)20/h3,5-6,8,10,18H,2,4,13H2,1H3,(H,14,16)(H,15,21)(H,17,22)(H,19,20)/t6-,8+,10+/m1/s1
InChIKeyFDALPRWYVKJCLL-PMVVWTBXSA-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)
Thr-His-Gly (CHEBI:163942) is a tripeptide (CHEBI:47923)
IUPAC Name 
2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetic acid