CHEBI:160367 - Asp-Asn-Gln

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Asp-Asn-Gln
ChEBI ID CHEBI:160367
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H21N5O8
Net Charge 0
Average Mass 375.338
Monoisotopic Mass 375.13901
InChI InChI=1S/C13H21N5O8/c14-5(3-10(21)22)11(23)18-7(4-9(16)20)12(24)17-6(13(25)26)1-2-8(15)19/h5-7H,1-4,14H2,(H2,15,19)(H2,16,20)(H,17,24)(H,18,23)(H,21,22)(H,25,26)/t5-,6-,7-/m0/s1
InChIKey ATYWBXGNXZYZGI-ACZMJKKPSA-N
SMILES O=C(N[C@@H](CCC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)CC(=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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Asp-Asn-Gln (CHEBI:160367) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid
Manual Xref Database
59760391 ChemSpider
View more database links