Reactive Red 6 hapten copper complex (CHEBI:72307)

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CHEBI:72307 - Reactive Red 6 hapten copper complex

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ChEBI ID	CHEBI:72307
ChEBI Name	Reactive Red 6 hapten copper complex
Stars
Definition	The copper coordination entity formed from Reactive Red 6 hapten by coordination to copper of the two hydroxy groups of each phenylazo-2-naphthyl substituent.
Last Modified	8 February 2013
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C35H21Cu2N9O22S6
Net Charge	0
Average Mass	1239.088
Monoisotopic Mass	1236.77173
SMILES	O=S(=O)(O)c1ccc2c(c1)/N=N/c1c(S(=O)(=O)O)cc3c(S(=O)(=O)O)c(Nc4ncnc(Nc5ccc6c7c(c(S(=O)(=O)O)cc6c5S(=O)(=O)O)/N=N/c5cc(S(=O)(=O)O)ccc5[O][Cu][O]7)n4)ccc3c1[O][Cu][O]2
InChI	InChI=1S/C35H25N9O22S6.2Cu/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);;/q;2*+2/p-4/b43-41+,44-42+;;
InChIKey	PQDGEMLPCDBNLQ-KNZLDKEQSA-J

Roles Classification

Chemical Role:	Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:	epitope The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.

ChEBI Ontology

Outgoing Relation(s)
	Reactive Red 6 hapten copper complex (CHEBI:72307) has part Reactive Red 6 hapten (CHEBI:45558)
	Reactive Red 6 hapten copper complex (CHEBI:72307) has role epitope (CHEBI:53000)
	Reactive Red 6 hapten copper complex (CHEBI:72307) is a azobenzenes (CHEBI:22682)
	Reactive Red 6 hapten copper complex (CHEBI:72307) is a bis(azo) compound (CHEBI:48960)
	Reactive Red 6 hapten copper complex (CHEBI:72307) is a copper coordination entity (CHEBI:37403)
	Reactive Red 6 hapten copper complex (CHEBI:72307) is a diamino-1,3,5-triazine (CHEBI:38170)
	Reactive Red 6 hapten copper complex (CHEBI:72307) is a naphthalenesulfonic acid (CHEBI:36336)

IUPAC Name
μ-[5-(hydroxy-1κO)-2-[(4-{[5-(hydroxy-2κO)-6-{(E)-[2-(hydroxy-2κO)-5-sulfophenyl]diazenyl}-1,7-disulfo-2-naphthyl]amino}-1,3,5-triazin-2-yl)amino]-6-{(E)-[2-(hydroxy-1κO)-5-sulfophenyl]diazenyl}naphthalene-1,7-disulfonato(4−)]dicopper

Synonyms	Source
RR6 hapten	ChEBI
Reactive Red 6 hapten	ChEBI

Citations