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> Main
CHEBI:72949 - chanoclavine-I(1+)
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ChEBI Ontology
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ChEBI Name
chanoclavine-I(1+)
ChEBI ID
CHEBI:72949
Definition
An organic cation that is the conjugate acid of chanoclavine-I, obtained by protonation of the secondary amino group.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
KAX
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Formula
C16H21N2O
Net Charge
+1
Average Mass
257.35070
Monoisotopic Mass
257.16484
InChI
InChI=1S/C16H20N2O/c1-
10(9-
19)
6-
13-
12-
4-
3-
5-
14-
16(12)
11(8-
18-
14)
7-
15(13)
17-
2/h3-
6,8,13,15,17-
19H,7,9H2,1-
2H3/p+1/b10-
6+/t13-
,15-
/m1/s1
InChIKey
SAHHMCVYMGARBT-HEESEWQSSA-O
SMILES
C[NH2+][C@@H]1Cc2c[nH]c3cccc([C@H]1\C=C(/C)CO)c23
ChEBI Ontology
Outgoing
chanoclavine-I(1+) (
CHEBI:72949
)
is a
ammonium ion derivative (
CHEBI:35274
)
chanoclavine-I(1+) (
CHEBI:72949
)
is a
organic cation (
CHEBI:25697
)
chanoclavine-I(1+) (
CHEBI:72949
)
is conjugate acid of
chanoclavine-I (
CHEBI:3576
)
Incoming
chanoclavine-I (
CHEBI:3576
)
is conjugate base of
chanoclavine-I(1+) (
CHEBI:72949
)
IUPAC Name
(4
R
,5
R
)-
5-
[(1
E
)-
3-
hydroxy-
2-
methylprop-
1-
en-
1-
yl]-
N
-
methyl-
1,3,4,5-
tetrahydrobenzo[
cd
]indol-
4-
aminium
Synonym
Source
chanoclavine-I
UniProt
Manual Xref
Database
CPD-12356
MetaCyc
View more database links
Last Modified
25 April 2013