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ChEBI
> Main
CHEBI:69269 - Herdmanine D
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ChEBI Ontology
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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.
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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 (Br
o
nsted 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
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);