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.
Supplier Information
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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.
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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