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ChEBI
> Main
CHEBI:58253 - (
S
)-norcoclaurinium(1+)
Main
ChEBI Ontology
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ChEBI Name
(
S
)-norcoclaurinium(1+)
ChEBI ID
CHEBI:58253
ChEBI ASCII Name
(S)-norcoclaurinium(1+)
Definition
An organic cation that is the conjugate base of (
S
)-norcoclaurine: major species at pH 7.3.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C16H18NO3
Net Charge
+1
Average Mass
272.31900
Monoisotopic Mass
272.12812
InChI
InChI=1S/C16H17NO3/c18-
12-
3-
1-
10(2-
4-
12)
7-
14-
13-
9-
16(20)
15(19)
8-
11(13)
5-
6-
17-
14/h1-
4,8-
9,14,17-
20H,5-
7H2/p+1/t14-
/m0/s1
InChIKey
WZRCQWQRFZITDX-AWEZNQCLSA-O
SMILES
Oc1ccc(C[C@@H]2[NH2+]CCc3cc(O)c(O)cc23)cc1
ChEBI Ontology
Outgoing
(
S
)-norcoclaurinium(1+) (
CHEBI:58253
)
is a
ammonium ion derivative (
CHEBI:35274
)
(
S
)-norcoclaurinium(1+) (
CHEBI:58253
)
is a
organic cation (
CHEBI:25697
)
(
S
)-norcoclaurinium(1+) (
CHEBI:58253
)
is conjugate acid of
(
S
)-norcoclaurine (
CHEBI:17729
)
Incoming
(
S
)-norcoclaurine (
CHEBI:17729
)
is conjugate base of
(
S
)-norcoclaurinium(1+) (
CHEBI:58253
)
IUPAC Name
(1
S
)-6,7-dihydroxy-1-(4-hydroxybenzyl)-1,2,3,4-tetrahydroisoquinolinium
Synonyms
Sources
(
S
)-norcoclaurine
UniProt
(
S
)-norcoclaurinium
ChEBI
(
S
)-norcoclaurinium cation
ChEBI
Last Modified
11 January 2012