CHEBI:158502 - Ile-Ile-Glu

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Ile-Ile-Glu
ChEBI ID CHEBI:158502
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H31N3O6
Net Charge 0
Average Mass 373.450
Monoisotopic Mass 373.22129
InChI InChI=1S/C17H31N3O6/c1-5-9(3)13(18)15(23)20-14(10(4)6-2)16(24)19-11(17(25)26)7-8-12(21)22/h9-11,13-14H,5-8,18H2,1-4H3,(H,19,24)(H,20,23)(H,21,22)(H,25,26)/t9-,10-,11-,13-,14-/m0/s1
InChIKey SJLVSMMIFYTSGY-GRLWGSQLSA-N
SMILES O=C(N[C@@H]([C@H](CC)C)C(=O)N[C@@H](CCC(O)=O)C(O)=O)[C@@H](N)[C@H](CC)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Ile-Ile-Glu (CHEBI:158502) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]pentanedioic acid