CHEBI:73013 - Ac-Gln-D-Phe-His-D-Pro-βAla

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name Ac-Gln-D-Phe-His-D-Pro-βAla ChEBI ID CHEBI:73013 ChEBI ASCII Name Ac-Gln-D-Phe-His-D-Pro-betaAla Definition A pentapeptide comprising N2-acetyl-L-glutamine, D-phenylalanine, L-histidine, D-proline and β-alanine residues coupled in sequence. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C30H40N8O8 Net Charge 0 Average Mass 640.68740 Monoisotopic Mass 640.29691 InChI InChI=1S/C30H40N8O8/c1-18(39)35-21(9-10-25(31)40)27(43)36-22(14-19-6-3-2-4-7-19)28(44)37-23(15-20-16-32-17-34-20)30(46)38-13-5-8-24(38)29(45)33-12-11-26(41)42/h2-4,6-7,16-17,21-24H,5,8-15H2,1H3,(H2,31,40)(H,32,34)(H,33,45)(H,35,39)(H,36,43)(H,37,44)(H,41,42)/t21-,22+,23-,24+/m0/s1 InChIKey KLKHWFRYTZAAFL-UARRHKHWSA-N SMILES CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(=O)NCCC(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 Ac-Gln-D-Phe-His-D-Pro-βAla (CHEBI:73013) is a pentapeptide (CHEBI:48545) IUPAC Name N2-acetyl-L-glutaminyl-D-phenylalanyl-L-histidyl-D-prolyl-β-alanine Synonyms Sources Ac-QfHpβ-OH ChEBI N-ACETYL-L-GLN-D-PHE-L-HIS-D-PRO-B-ALA-OH PDB Manual Xref Database 1MCE PDB View more database links Citation Type Source 8346191 PubMed citation Europe PMC Last Modified 26 March 2013