CHEBI:161993 - Gln-Asp-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 Gln-Asp-Glu
ChEBI ID CHEBI:161993
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H22N4O9
Net Charge 0
Average Mass 390.349
Monoisotopic Mass 390.13868
InChI InChI=1S/C14H22N4O9/c15-6(1-3-9(16)19)12(24)18-8(5-11(22)23)13(25)17-7(14(26)27)2-4-10(20)21/h6-8H,1-5,15H2,(H2,16,19)(H,17,25)(H,18,24)(H,20,21)(H,22,23)(H,26,27)/t6-,7-,8-/m0/s1
InChIKey IKDOHQHEFPPGJG-FXQIFTODSA-N
SMILES O=C(N[C@@H](CCC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)CC(O)=O
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 Gln-Asp-Glu (CHEBI:161993) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(2S)-3-carboxy-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]propanoyl]amino]pentanedioic acid