CHEBI:161942 - Gln-Asn-Ala

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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-Asn-Ala
ChEBI ID CHEBI:161942
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H21N5O6
Net Charge 0
Average Mass 331.329
Monoisotopic Mass 331.14918
InChI InChI=1S/C12H21N5O6/c1-5(12(22)23)16-11(21)7(4-9(15)19)17-10(20)6(13)2-3-8(14)18/h5-7H,2-4,13H2,1H3,(H2,14,18)(H2,15,19)(H,16,21)(H,17,20)(H,22,23)/t5-,6-,7-/m0/s1
InChIKey INFBPLSHYFALDE-ACZMJKKPSA-N
SMILES O=C(N[C@@H](CC(=O)N)C(=O)N[C@@H](C)C(O)=O)[C@@H](N)CCC(=O)N
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing Gln-Asn-Ala (CHEBI:161942) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(2S)-4-amino-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]propanoic acid