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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:70037 - Oroidine
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ChEBI Ontology
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ChEBI Name
Oroidine
ChEBI ID
CHEBI:70037
Definition
A natural product found in
Agelas sventres
.
Stars
This entity has been manually annotated by a third party.
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Formula
C11H11Br2N5O
Net Charge
0
Average Mass
389.04600
Monoisotopic Mass
386.93304
InChI
InChI=1S/C11H11Br2N5O/c12-
7-
4-
8(18-
9(7)
13)
10(19)
15-
3-
1-
2-
6-
5-
16-
11(14)
17-
6/h1-
2,4-
5,18H,3H2,(H,15,19)
(H3,14,16,17)
/b2-
1+
InChIKey
QKJAXHBFQSBDAR-OWOJBTEDSA-N
SMILES
Nc1nc(\C=C\CNC(=O)c2cc(Br)c(Br)[nH]2)c[nH]1
Metabolite of Species
Details
Agelas sventres
(NCBI:txid333314)
Ethanolic extract 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
Oroidine (
CHEBI:70037
)
has role
metabolite (
CHEBI:25212
)
Oroidine (
CHEBI:70037
)
is a
pyrroles (
CHEBI:26455
)
Oroidine (
CHEBI:70037
)
is a
secondary carboxamide (
CHEBI:140325
)
Synonym
Source
1H-Pyrrole-2-carboxamide, N-(3-(2-amino-1H-imidazol-4-yl)-2-propenyl)-4,5-dibromo-, (E)-
ChEBI
Registry Number
Type
Source
34649-22-4
CAS Registry Number
ChemIDplus
Citation
Type
Source
21207971
PubMed citation
Europe PMC
Last Modified
07 March 2018
General Comment
2014-10-17
Suggested Classification: ISA:aralkylamine(CHEBI:18000); ISA:aminoimidazole(CHEBI:22512); ISA:pyrroles(CHEBI:26455); ISA:primary arylamine(CHEBI:50471); ISA:organobromine compound(CHEBI:37141); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:carboxamide(CHEBI:37622); ISA:organonitrogen compound(CHEBI:35352); ISA:carboxylic acid(CHEBI:33575); ISA:carbonyl compound(CHEBI:36586);