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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:36185 - ergotaman
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ChEBI Ontology
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ChEBI Name
ergotaman
ChEBI ID
CHEBI:36185
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Molfile
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Molfile
Formula
C25H33N5O
Net Charge
0
Average Mass
419.56262
Monoisotopic Mass
419.26851
InChI
InChI=1S/C25H33N5O/c1-
28-
14-
16(10-
19-
18-
4-
2-
5-
20-
24(18)
17(13-
26-
20)
11-
22(19)
28)
12-
27-
23-
15-
30-
9-
8-
29-
7-
3-
6-
21(29)
25(30)
31-
23/h2,4-
5,10,13,16,21-
23,25-
27H,3,6-
9,11-
12,14-
15H2,1H3/t16-
,21-
,22+,23+,25-
/m0/s1
InChIKey
UDPQLCFGLBGHDF-IZKMSSHQSA-N
SMILES
[H][C@@]1(CN2CCN3CCC[C@@]3([H])[C@]2([H])O1)NC[C@H]1CN(C)[C@]2([H])Cc3c[nH]c4cccc(C2=C1)c34
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
ergotaman (
CHEBI:36185
)
is a
indole alkaloid (
CHEBI:38958
)
ergotaman (
CHEBI:36185
)
is a
indole alkaloid fundamental parent (
CHEBI:38482
)
Incoming
α-ergocryptine (
CHEBI:10276
)
has parent hydride
ergotaman (
CHEBI:36185
)
β-ergocryptine (
CHEBI:59921
)
has parent hydride
ergotaman (
CHEBI:36185
)
bromocriptine (
CHEBI:3181
)
has parent hydride
ergotaman (
CHEBI:36185
)
dihydro-α-ergocryptine (
CHEBI:59919
)
has parent hydride
ergotaman (
CHEBI:36185
)
dihydro-β-ergocryptine (
CHEBI:59925
)
has parent hydride
ergotaman (
CHEBI:36185
)
dihydroergocornine (
CHEBI:59909
)
has parent hydride
ergotaman (
CHEBI:36185
)
dihydroergocristine (
CHEBI:59912
)
has parent hydride
ergotaman (
CHEBI:36185
)
ergocornine (
CHEBI:4820
)
has parent hydride
ergotaman (
CHEBI:36185
)
ergocristine (
CHEBI:4821
)
has parent hydride
ergotaman (
CHEBI:36185
)
ergosine (
CHEBI:4823
)
has parent hydride
ergotaman (
CHEBI:36185
)
IUPAC Name
ergotaman
Last Modified
02 August 2010