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CHEBI:158181 - Ile-Arg-Gly

ChEBI IDCHEBI:158181
ChEBI NameIle-Arg-Gly
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H28N6O4
Net Charge0
Average Mass344.416
Monoisotopic Mass344.21720
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O
InChIInChI=1S/C14H28N6O4/c1-3-8(2)11(15)13(24)20-9(5-4-6-18-14(16)17)12(23)19-7-10(21)22/h8-9,11H,3-7,15H2,1-2H3,(H,19,23)(H,20,24)(H,21,22)(H4,16,17,18)/t8-,9-,11-/m0/s1
InChIKeyQLRMMMQNCWBNPQ-QXEWZRGKSA-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-Arg-Gly (CHEBI:158181) is a tripeptide (CHEBI:47923)
IUPAC Name 
2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid