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Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
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ChEBI
> Main
CHEBI:36380 - emetan
Main
ChEBI Ontology
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ChEBI Name
emetan
ChEBI ID
CHEBI:36380
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Molfile
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Molfile
Formula
C25H32N2
Net Charge
0
Average Mass
360.53506
Monoisotopic Mass
360.25655
InChI
InChI=1S/C25H32N2/c1-
2-
18-
17-
27-
14-
12-
20-
8-
4-
6-
10-
23(20)
25(27)
16-
21(18)
15-
24-
22-
9-
5-
3-
7-
19(22)
11-
13-
26-
24/h3-
10,18,21,24-
26H,2,11-
17H2,1H3/t18-
,21-
,24+,25-
/m0/s1
InChIKey
KSQYVPHTTWSOHG-CKBKHPSWSA-N
SMILES
[H][C@]1(C[C@@]2([H])NCCc3ccccc23)C[C@]2([H])N(CCc3ccccc23)C[C@@H]1CC
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.
(via
alkaloid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
emetan (
CHEBI:36380
)
is a
isoquinoline alkaloid (
CHEBI:24921
)
emetan (
CHEBI:36380
)
is a
isoquinoline alkaloid fundamental parent (
CHEBI:38515
)
emetan (
CHEBI:36380
)
is a
isoquinolines (
CHEBI:24922
)
Incoming
alangicine (
CHEBI:2535
)
has parent hydride
emetan (
CHEBI:36380
)
cephaeline (
CHEBI:3533
)
has parent hydride
emetan (
CHEBI:36380
)
dehydroemetine (
CHEBI:149634
)
has parent hydride
emetan (
CHEBI:36380
)
emetine (
CHEBI:4781
)
has parent hydride
emetan (
CHEBI:36380
)
klugine (
CHEBI:66147
)
has parent hydride
emetan (
CHEBI:36380
)
IUPAC Name
emetan
Last Modified
01 May 2020