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CHEBI:164718 - Trp-Ile-Gln

ChEBI IDCHEBI:164718
ChEBI NameTrp-Ile-Gln
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H31N5O5
Net Charge0
Average Mass445.520
Monoisotopic Mass445.23252
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1cnc2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C22H31N5O5/c1-3-12(2)19(21(30)26-17(22(31)32)8-9-18(24)28)27-20(29)15(23)10-13-11-25-16-7-5-4-6-14(13)16/h4-7,11-12,15,17,19,25H,3,8-10,23H2,1-2H3,(H2,24,28)(H,26,30)(H,27,29)(H,31,32)/t12-,15-,17-,19-/m0/s1
InChIKeyOCCYDHCUKXRPSJ-SXNHZJKMSA-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)
Trp-Ile-Gln (CHEBI:164718) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoic acid