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> Main
CHEBI:67147 - fumigaclavine C(1+)
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ChEBI Name
fumigaclavine C(1+)
ChEBI ID
CHEBI:67147
Definition
An ammonium ion obtained by the protonation of the tertiary amino group of fumigaclavine C; major species at pH 7.3.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
KAX
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Formula
C23H31N2O2
Net Charge
+1
Average Mass
367.50440
Monoisotopic Mass
367.23800
InChI
InChI=1S/C23H30N2O2/c1-
7-
23(4,5)
22-
16-
11-
18-
20(15-
9-
8-
10-
17(24-
22)
19(15)
16)
21(27-
14(3)
26)
13(2)
12-
25(18)
6/h7-
10,13,18,20-
21,24H,1,11-
12H2,2-
6H3/p+1/t13-
,18+,20+,21-
/m0/s1
InChIKey
OSICWVVWEXKSBD-LFAYTRTRSA-O
SMILES
[H][C@@]12Cc3c([nH]c4cccc(c34)[C@@]1([H])[C@@H](OC(C)=O)[C@@H](C)C[NH+]2C)C(C)(C)C=C
ChEBI Ontology
Outgoing
fumigaclavine C(1+) (
CHEBI:67147
)
is a
ammonium ion derivative (
CHEBI:35274
)
fumigaclavine C(1+) (
CHEBI:67147
)
is a
organic cation (
CHEBI:25697
)
fumigaclavine C(1+) (
CHEBI:67147
)
is conjugate acid of
fumigaclavine C (
CHEBI:64673
)
Incoming
fumigaclavine C (
CHEBI:64673
)
is conjugate base of
fumigaclavine C(1+) (
CHEBI:67147
)
IUPAC Name
(8β,9β)-6,8-dimethyl-2-(2-methylbut-3-en-2-yl)ergolin-6-ium-9-yl acetate
Synonym
Source
fumigaclavine C
UniProt
Manual Xrefs
Databases
CPD-12338
MetaCyc
CPD-14469
MetaCyc
View more database links
Last Modified
20 August 2012