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InChI=1S/CH4O/c1-2/h2H,1H3
,
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ChEBI
> Main
CHEBI:2198 - 6-hydroxymelatonin
Main
ChEBI Ontology
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ChEBI Name
6-hydroxymelatonin
ChEBI ID
CHEBI:2198
Definition
A member of the class of tryptamines that is melatonin with a hydroxy group substituent at position 6.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C13H16N2O3
Net Charge
0
Average Mass
248.27770
Monoisotopic Mass
248.11609
InChI
InChI=1S/C13H16N2O3/c1-
8(16)
14-
4-
3-
9-
7-
15-
11-
6-
12(17)
13(18-
2)
5-
10(9)
11/h5-
7,15,17H,3-
4H2,1-
2H3,(H,14,16)
InChIKey
OMYMRCXOJJZYKE-UHFFFAOYSA-N
SMILES
COc1cc2c(CCNC(C)=O)c[nH]c2cc1O
Metabolite of Species
Details
Mus musculus
(NCBI:txid10090)
Source: BioModels - MODEL1507180067 See:
PubMed
Roles Classification
Biological Role
(s):
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (
Mus musculus
).
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
6-hydroxymelatonin (
CHEBI:2198
)
has functional parent
melatonin (
CHEBI:16796
)
6-hydroxymelatonin (
CHEBI:2198
)
has role
metabolite (
CHEBI:25212
)
6-hydroxymelatonin (
CHEBI:2198
)
has role
mouse metabolite (
CHEBI:75771
)
6-hydroxymelatonin (
CHEBI:2198
)
is a
acetamides (
CHEBI:22160
)
6-hydroxymelatonin (
CHEBI:2198
)
is a
tryptamines (
CHEBI:27162
)
IUPAC Name
N
-[2-(6-hydroxy-5-methoxy-1
H
-indol-3-yl)ethyl]acetamide
Synonym
Source
Lopac-H-0627
HMDB
Manual Xrefs
Databases
C05643
KEGG COMPOUND
HMDB0004081
HMDB
View more database links
Registry Numbers
Types
Sources
2208-41-5
CAS Registry Number
KEGG COMPOUND
2208-41-5
CAS Registry Number
ChemIDplus
483231
Reaxys Registry Number
Reaxys
Citations
Types
Sources
15356035
PubMed citation
Europe PMC
16300638
PubMed citation
Europe PMC
22430231
PubMed citation
Europe PMC
2646423
PubMed citation
Europe PMC
3964785
PubMed citation
Europe PMC
7263843
PubMed citation
Europe PMC
Last Modified
27 January 2016