CHEBI:69269 - Herdmanine D

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ChEBI Name Herdmanine D
ChEBI ID CHEBI:69269
Definition A natural product found in Herdmania momus.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C18H15BrN2O5
Net Charge 0
Average Mass 419.22600
Monoisotopic Mass 418.01644
InChI InChI=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
InChIKey PKFPVOPFIFUXPW-AWEZNQCLSA-N
SMILES N[C@@H](Cc1ccc(OC(=O)c2c[nH]c3cc(Br)c(O)cc23)cc1)C(O)=O
Metabolite of Species Details
Herdmania momus (NCBI:txid7733) Combined methanol and methylene chloride extract of frozened and chopped ascidians See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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 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 acid ChEBI
Citation Waiting for Citations Type Source
21770369 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:monocarboxylic acid(CHEBI:25384); ISA:phenols(CHEBI:33853); ISA:benzoate ester(CHEBI:36054); ISA:amphetamines(CHEBI:35338); ISA:alpha-amino acid(CHEBI:33704); ISA:indoles(CHEBI:24828); ISA:pyrroles(CHEBI:26455); ISA:bromophenol(CHEBI:33624); ISA:organobromine compound(CHEBI:37141); ISA:amino fatty acid(CHEBI:59650); ISA:aralkylamine(CHEBI:18000); ISA:dicarboxylic acid(CHEBI:35692); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enamine(CHEBI:47989); ISA:carboxylic ester(CHEBI:33308); ISA:polyol(CHEBI:26191); ISA:carboxylic acid(CHEBI:33575); ISA:organonitrogen compound(CHEBI:35352); ISA:aromatic alcohol(CHEBI:33854); ISA:carbonyl compound(CHEBI:36586); ISA:alkylamine(CHEBI:13759);