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> Main
CHEBI:58012 - strictosidine aglycone(1+)
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ChEBI Name
strictosidine aglycone(1+)
ChEBI ID
CHEBI:58012
Definition
Conjugate acid of strictosidine aglycone arising from deprotonation of the secondary amino group; major species at pH 7.3.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C21H25N2O4
Net Charge
+1
Average Mass
369.43420
Monoisotopic Mass
369.18088
InChI
InChI=1S/C21H24N2O4/c1-
3-
12-
15(16(20(24)
26-
2)
11-
27-
21(12)
25)
10-
18-
19-
14(8-
9-
22-
18)
13-
6-
4-
5-
7-
17(13)
23-
19/h3-
7,11-
12,15,18,21-
23,25H,1,8-
10H2,2H3/p+1/t12-
,15+,18+,21-
/m1/s1
InChIKey
HXLWDALZXJIPSY-LPIRWUFSSA-O
SMILES
[H][C@@]1(C[C@H]2[C@@H](C=C)[C@H](O)OC=C2C(=O)OC)[NH2+]CCc2c1[nH]c1ccccc21
ChEBI Ontology
Outgoing
strictosidine aglycone(1+) (
CHEBI:58012
)
is a
ammonium ion derivative (
CHEBI:35274
)
strictosidine aglycone(1+) (
CHEBI:58012
)
is a
organic cation (
CHEBI:25697
)
strictosidine aglycone(1+) (
CHEBI:58012
)
is conjugate acid of
strictosidine aglycone (
CHEBI:17096
)
Incoming
strictosidine aglycone (
CHEBI:17096
)
is conjugate base of
strictosidine aglycone(1+) (
CHEBI:58012
)
IUPAC Name
(1
S
)-
1-
{[(2
R
,3
R
,4
S
)-
2-
hydroxy-
5-
(methoxycarbonyl)-
3-
ethenyl-
3,4-
dihydro-
2
H
-
pyran-
4-
yl]methyl}-
2,3,4,9-
tetrahydro-
1
H
-
β-
carbolin-
2-
ium
Synonyms
Sources
strictosidine aglycone
UniProt
strictosidine aglycone cation
ChEBI
Last Modified
13 November 2017