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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:69834 - subereamine A
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ChEBI Name
subereamine A
ChEBI ID
CHEBI:69834
Definition
A natural product found in
Suberea mollis
.
Stars
This entity has been manually annotated by a third party.
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Formula
C16H21BrN4O4
Net Charge
0
Average Mass
413.26600
Monoisotopic Mass
412.07462
InChI
InChI=1S/C16H21BrN4O4/c1-
25-
13-
6-
4-
10(9-
11(13)
17)
5-
7-
14(22)
21-
12(15(23)
24)
3-
2-
8-
20-
16(18)
19/h4-
7,9,12H,2-
3,8H2,1H3,(H,21,22)
(H,23,24)
(H4,18,19,20)
/b7-
5+/t12-
/m1/s1
InChIKey
CYWJABQUHPIUCD-HOSRBBHYSA-N
SMILES
COc1ccc(\C=C\C(=O)N[C@H](CCCNC(N)=N)C(O)=O)cc1Br
Metabolite of Species
Details
Suberea mollis
(WORMS:169627)
EtOH extract of frozen sponge 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
subereamine A (
CHEBI:69834
)
has role
metabolite (
CHEBI:25212
)
subereamine A (
CHEBI:69834
)
is a
N
-acyl-amino acid (
CHEBI:51569
)
Synonyms
Sources
(E)-2-(3-(3-bromo-4-methoxyphenyl)acrylamido)-5-guanidinopentanoic acid
ChEBI
N2-[(2E)-3-(3-Bromo-4-methoxyphenyl)-2-propenoyl]-D-arginine
ChEBI
Citation
Type
Source
21542602
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:cinnamamides(CHEBI:23247); ISA:alpha-amino acid(CHEBI:33704); ISA:olefinic compound(CHEBI:78840); ISA:styrenes(CHEBI:26799); ISA:methoxybenzene(CHEBI:51683); ISA:amino fatty acid(CHEBI:59650); ISA:aromatic ether(CHEBI:35618); ISA:organobromine compound(CHEBI:37141); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:guanidines(CHEBI:24436); ISA:carboxamide(CHEBI:37622); ISA:organonitrogen compound(CHEBI:35352); ISA:organic heterocyclic compound(CHEBI:24532); ISA:monocarboxylic acid(CHEBI:25384); ISA:carboxylic acid(CHEBI:33575); ISA:amine(CHEBI:32952); ISA:carbonyl compound(CHEBI:36586); ISA:imine(CHEBI:24783);