CHEBI:45558 - Reactive Red 6 hapten

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ChEBI Name Reactive Red 6 hapten
ChEBI ID CHEBI:45558
Definition A bis(azo) compound that consists of a 1,3,5-triazine core having two (5-hydroxy-1,3-disulfo-2naphthyl)amino groups at positions 2 and 6, each of which is further substituted with a 2-hydroxy-5-sulfophenylazo group.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C35H25N9O22S6
Net Charge 0
Average Mass 1116.01000
Monoisotopic Mass 1114.94384
InChI InChI=1S/C35H25N9O22S6/c45-24-7-1-14(67(49,50)51)9-22(24)41-43-28-26(69(55,56)57)11-18-16(30(28)47)3-5-20(32(18)71(61,62)63)38-34-36-13-37-35(40-34)39-21-6-4-17-19(33(21)72(64,65)66)12-27(70(58,59)60)29(31(17)48)44-42-23-10-15(68(52,53)54)2-8-25(23)46/h1-13,45-48H,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H2,36,37,38,39,40)/b43-41+,44-42+
InChIKey PJONDRDKCIFXDA-CHQNLTHESA-N
SMILES Oc1ccc(cc1\N=N\c1c(O)c2ccc(Nc3ncnc(Nc4ccc5c(O)c(\N=N\c6cc(ccc6O)S(O)(=O)=O)c(cc5c4S(O)(=O)=O)S(O)(=O)=O)n3)c(c2cc1S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing Reactive Red 6 hapten (CHEBI:45558) is a azobenzenes (CHEBI:22682)
Reactive Red 6 hapten (CHEBI:45558) is a bis(azo) compound (CHEBI:48960)
Reactive Red 6 hapten (CHEBI:45558) is a diamino-1,3,5-triazine (CHEBI:38170)
Reactive Red 6 hapten (CHEBI:45558) is a naphthalenesulfonic acid (CHEBI:36336)
Incoming Reactive Red 6 hapten copper complex (CHEBI:72307) has part Reactive Red 6 hapten (CHEBI:45558)
Synonyms Sources
5-hydroxy-2-[[4-[[5-hydroxy-6-(2-hydroxy-5-sulfo-phenyl)diazenyl-1,7-disulfo-naphthalen-2-yl]amino]-1,3,5-triazin-2-yl]amino]-6-(2-hydroxy-5-sulfo-phenyl)diazenyl-naphthalene-1,7-disulfonic acid PDBeChem
Azo-Dye Hapten DrugBank
RR6 azo-dye hapten ChEBI
Manual Xrefs Databases
1QD0 PDB
DB03853 DrugBank
RR6 PDBeChem
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Citation Waiting for Citations Type Source
10684599 PubMed citation Europe PMC
Last Modified
08 February 2013