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> Main
CHEBI:90145 - 2-naphthol AS BI-β-
D
-glucuronide
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ChEBI Name
2-naphthol AS BI-β-
D
-glucuronide
ChEBI ID
CHEBI:90145
ChEBI ASCII Name
2-naphthol AS BI-beta-D-glucuronide
Definition
A β-
D
-glucosiduronic acid having a 6-bromo-3-[(2-methoxyphenyl)carbamoyl]naphthalen-2-yl substituent at the anomeric position.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C24H22BrNO9
Net Charge
0
Average Mass
548.337
Monoisotopic Mass
547.04779
InChI
InChI=1S/C24H22BrNO9/c1-
33-
16-
5-
3-
2-
4-
15(16)
26-
22(30)
14-
9-
12-
8-
13(25)
7-
6-
11(12)
10-
17(14)
34-
24-
20(29)
18(27)
19(28)
21(35-
24)
23(31)
32/h2-
10,18-
21,24,27-
29H,1H3,(H,26,30)
(H,31,32)
/t18-
,19-
,20+,21-
,24+/m0/s1
InChIKey
ACOOAEDFQKSZTC-NABGWTBKSA-N
SMILES
[C@@H]1([C@@H]([C@@H](O)[C@@H]([C@H](O1)C(O)=O)O)O)OC=2C(=CC=3C=C(C=CC3C2)Br)C(=O)NC=4C(=CC=CC4)OC
Roles Classification
Application
(s):
chromogenic compound
Colourless, endogenous or exogenous pigment precursors that may be transformed by biological mechanisms into coloured compounds. They are used in biochemical assays and in diagnosis as indicators, particularly in the form of enzyme substrates.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
2-naphthol AS BI-β-
D
-glucuronide (
CHEBI:90145
)
has role
chromogenic compound (
CHEBI:75050
)
2-naphthol AS BI-β-
D
-glucuronide (
CHEBI:90145
)
is a
β-
D
-glucosiduronic acid (
CHEBI:15341
)
2-naphthol AS BI-β-
D
-glucuronide (
CHEBI:90145
)
is a
aromatic ether (
CHEBI:35618
)
2-naphthol AS BI-β-
D
-glucuronide (
CHEBI:90145
)
is a
naphthalenecarboxamide (
CHEBI:48739
)
2-naphthol AS BI-β-
D
-glucuronide (
CHEBI:90145
)
is a
organobromine compound (
CHEBI:37141
)
IUPAC Name
6-
bromo-
3-
[(2-
methoxyphenyl)carbamoyl]naphthalen-
2-
yl β-
D
-
glucopyranosiduronic acid
Synonyms
Sources
β-
D
-glucuronosyl-2-naphthol AS BI
ChEBI
β-
D
-glucuronosylnaphthol AS BI
ChEBI
Registry Number
Type
Source
6883214
Reaxys Registry Number
Reaxys
Last Modified
29 October 2015