2-{(E)-[5-HYDROXY-3-METHYL-1-(2-METHYL-4-SULFOPHENYL)-1H-PYRAZOL-4-YL]DIAZENYL}-4-SULFOBENZOIC ACID (CHEBI:39899)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:39899 - 2-{(E)-[5-HYDROXY-3-METHYL-1-(2-METHYL-4-SULFOPHENYL)-1H-PYRAZOL-4-YL]DIAZENYL}-4-SULFOBENZOIC ACID

Default Structure

Take structure to advanced search

ChEBI ID	CHEBI:39899
ChEBI Name	2-{(E)-[5-HYDROXY-3-METHYL-1-(2-METHYL-4-SULFOPHENYL)-1H-PYRAZOL-4-YL]DIAZENYL}-4-SULFOBENZOIC ACID
Stars
Last Modified	16 May 2008
Downloads	Molfile

Formula	C18H16N4O9S2
Net Charge	0
Average Mass	496.479
Monoisotopic Mass	496.03587
SMILES	[H]OC(=O)c1c([H])c([H])c(S(=O)(=O)O[H])c([H])c1/N=N/c1c(C([H])([H])[H])nn(-c2c([H])c([H])c(S(=O)(=O)O[H])c([H])c2C([H])([H])[H])c1O[H]
InChI	InChI=1S/C18H16N4O9S2/c1-9-7-11(32(26,27)28)4-6-15(9)22-17(23)16(10(2)21-22)20-19-14-8-12(33(29,30)31)3-5-13(14)18(24)25/h3-8,23H,1-2H3,(H,24,25)(H,26,27,28)(H,29,30,31)/b20-19+
InChIKey	NOQURKNIKJDEPW-FMQUCBEESA-N

ChEBI Ontology

Outgoing Relation(s)
	2-{(E)-[5-HYDROXY-3-METHYL-1-(2-METHYL-4-SULFOPHENYL)-1H-PYRAZOL-4-YL]DIAZENYL}-4-SULFOBENZOIC ACID (CHEBI:39899) is a unclassifieds (CHEBI:27189)

Synonyms	Source
2-{(E)-[5-hydroxy-3-methyl-1-(2-methyl-4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl}-4-sulfobenzoic acid	PDBeChem
2-{(E)-[5-HYDROXY-3-METHYL-1-(2-METHYL-4-SULFOPHENYL)-1H-PYRAZOL-4-YL]DIAZENYL}-4-SULFOBENZOIC ACID	PDBeChem

Manual Xrefs	Databases
326	PDBeChem