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CHEBI:158364 - Ile-Gln-Trp

ChEBI IDCHEBI:158364
ChEBI NameIle-Gln-Trp
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Last Modified20 March 2025
SubmitterMetaboLights
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FormulaC22H31N5O5
Net Charge0
Average Mass445.520
Monoisotopic Mass445.23252
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C22H31N5O5/c1-3-12(2)19(24)21(30)26-16(8-9-18(23)28)20(29)27-17(22(31)32)10-13-11-25-15-7-5-4-6-14(13)15/h4-7,11-12,16-17,19,25H,3,8-10,24H2,1-2H3,(H2,23,28)(H,26,30)(H,27,29)(H,31,32)/t12-,16-,17-,19-/m0/s1
InChIKeyMVLDERGQICFFLL-ZQINRCPSSA-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)
Ile-Gln-Trp (CHEBI:158364) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid