CHEBI:67325 - Didemnidine B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Didemnidine B
ChEBI ID CHEBI:67325
Definition A natural product found in Didemnum species.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C17H23BrN4O2
Net Charge 0
Average Mass 395.29400
Monoisotopic Mass 394.10044
InChI InChI=1S/C17H23BrN4O2/c18-12-4-5-13-14(11-22-15(13)10-12)16(23)17(24)21-9-3-8-20-7-2-1-6-19/h4-5,10-11,20,22H,1-3,6-9,19H2,(H,21,24)
InChIKey IAMCWSVWBJVYIO-UHFFFAOYSA-N
SMILES NCCCCNCCCNC(=O)C(=O)c1c[nH]c2cc(Br)ccc12
Metabolite of Species Details
Didemnum (NCBI:txid107395) The freeze dried material was extracted with methanol See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Didemnidine B (CHEBI:67325) has role metabolite (CHEBI:25212)
Didemnidine B (CHEBI:67325) is a tryptamines (CHEBI:27162)
Synonym Source
N-[3-(4-aminobutylamino)propyl]-2-(6-bromo-1H-indol-3-yl)-2-oxo-acetamide ChEBI
Citation Waiting for Citations Type Source
21348447 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:indoles(CHEBI:24828); ISA:aromatic ketone(CHEBI:76224); ISA:organobromine compound(CHEBI:37141); ISA:aralkylamine(CHEBI:18000); ISA:pyrroles(CHEBI:26455); ISA:enone(CHEBI:51689); ISA:enamine(CHEBI:47989); ISA:enol ether(CHEBI:47985); ISA:ketone(CHEBI:17087); ISA:organic amino compound(CHEBI:50047); ISA:carboxamide(CHEBI:37622); ISA:carboxylic acid(CHEBI:33575); ISA:organonitrogen compound(CHEBI:35352); ISA:secondary amino compound(CHEBI:50995); ISA:alkylamine(CHEBI:13759);