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CHEBI:69269 - Herdmanine D

ChEBI IDCHEBI:69269
ChEBI NameHerdmanine D
Stars
DefinitionA natural product found in Herdmania momus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC18H15BrN2O5
Net Charge0
Average Mass419.231
Monoisotopic Mass418.01643
SMILESN[C@@H](Cc1ccc(OC(=O)c2cnc3cc(Br)c(O)cc23)cc1)C(=O)O
InChIInChI=1S/C18H15BrN2O5/c19-13-7-15-11(6-16(13)22)12(8-21-15)18(25)26-10-3-1-9(2-4-10)5-14(20)17(23)24/h1-4,6-8,14,21-22H,5,20H2,(H,23,24)/t14-/m0/s1
InChIKeyPKFPVOPFIFUXPW-AWEZNQCLSA-N
Species of MetaboliteComponentSourceComments
Herdmania momus (ncbitaxon:7733) - PubMed (21770369) Combined methanol and methylene chloride extract of frozened and chopped ascidians
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Herdmanine D (CHEBI:69269) has role metabolite (CHEBI:25212)
Herdmanine D (CHEBI:69269) is a indolyl carboxylic acid (CHEBI:46867)
Synonym  Source
(2S)-2-amino-3-[4-(6-bromo-5-hydroxy-1H-indole-3-carbonyl)oxyphenyl]propanoic acidChEBI
Citations