CHEBI:72948 - deoxybrevianamide E

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ChEBI Name deoxybrevianamide E
Definition A cyclic dipeptide that is brevianamide F (cyclo-L-Trp-L-Pro) substituted at position 2 on the indole ring by a 1,1-dimethylallyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information
Download Molfile XML SDF
Formula C21H25N3O2
Net Charge 0
Average Mass 351.44210
Monoisotopic Mass 351.19468
InChI InChI=1S/C21H25N3O2/c1-4-21(2,3)18-14(13-8-5-6-9-15(13)22-18)12-16-20(26)24-11-7-10-17(24)19(25)23-16/h4-6,8-9,16-17,22H,1,7,10-12H2,2-3H3,(H,23,25)/t16-,17-/m0/s1
SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1c([nH]c3ccccc13)C(C)(C)C=C)NC2=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 )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing deoxybrevianamide E (CHEBI:72948) has functional parent brevianamide F (CHEBI:64530)
deoxybrevianamide E (CHEBI:72948) is a dipeptide (CHEBI:46761)
deoxybrevianamide E (CHEBI:72948) is a indole alkaloid (CHEBI:38958)
deoxybrevianamide E (CHEBI:72948) is a indoles (CHEBI:24828)
deoxybrevianamide E (CHEBI:72948) is a pyrrolopyrazine (CHEBI:48337)
Synonyms Sources
cyclo-2-(1,1-dimethylallyl)-L-tryptophyl-L-proline ChEBI
cyclo-L-prolyl-2-(1,1-dimethylallyl)-L-tryptophan ChEBI
deoxybrevianamide E UniProt
L-prolyl-2-(1,1-dimethylallyl)-L-tryptophan anhydride ChEBI
Registry Numbers Types Sources
34610-68-9 CAS Registry Number ChemIDplus
630815 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
20722388 PubMed citation SUBMITTER
22140281 PubMed citation Europe PMC
Last Modified
02 April 2013