CHEBI:59601 - patent blue V

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name patent blue V
ChEBI ID CHEBI:59601
Definition An iminium ion that is a dark bluish synthetic dye used as a food colouring agent
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C27H33N2O7S2
Net Charge +1
Average Mass 561.69000
Monoisotopic Mass 561.17237
InChI InChI=1S/C27H32N2O7S2/c1-5-28(6-2)21-13-9-19(10-14-21)27(20-11-15-22(16-12-20)29(7-3)8-4)23-17-24(30)26(38(34,35)36)18-25(23)37(31,32)33/h9-18H,5-8H2,1-4H3,(H2-,30,31,32,33,34,35,36)/p+1
InChIKey DHAHKSQXIXFZJB-UHFFFAOYSA-O
SMILES CCN(CC)c1ccc(cc1)C(=C1C=CC(C=C1)=[N+](CC)CC)c1cc(O)c(cc1S(O)(=O)=O)S(O)(=O)=O
Roles Classification
Biological Role(s): allergen
A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
Application(s): dye

View more via ChEBI Ontology
ChEBI Ontology
Outgoing patent blue V (CHEBI:59601) has role allergen (CHEBI:50904)
patent blue V (CHEBI:59601) has role dye (CHEBI:37958)
patent blue V (CHEBI:59601) is a iminium ion (CHEBI:35286)
IUPAC Name
N-(4-{[4-(diethylamino)phenyl](5-hydroxy-2,4-disulfophenyl)methylene}cyclohexa-2,5-dien-1-ylidene)-N-ethylethanaminium
Registry Number Type Source
15587856 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
19804438 PubMed citation Europe PMC
23216362 PubMed citation Europe PMC
23231617 PubMed citation Europe PMC
23325942 PubMed citation Europe PMC
23442177 PubMed citation Europe PMC
27857847 PubMed citation Europe PMC
Last Modified
13 March 2017