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CHEBI:88195 - Pontamine sky blue 5B (acid form)

ChEBI IDCHEBI:88195
ChEBI NamePontamine sky blue 5B (acid form)
Stars
DefinitionA ring assembly consisting of two 5-amino-4-hydroxy-3-[(2-methoxyphenyl)diazenyl]naphthalene-2,7-disulfonic acid units joined by a 4,4'-linkage. The tetrasodium salt is the histological dye 'Pontamine sky blue 5B'.
Last Modified13 October 2015
SubmitterSteve
DownloadsMolfile
FormulaC34H28N6O16S4
Net Charge0
Average Mass904.892
Monoisotopic Mass904.04446
SMILESCOc1cc(-c2ccc(/N=N/c3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)cc(N)c4c3O)c(OC)c2)ccc1/N=N/c1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(N)c2c1O
InChIInChI=1S/C34H28N6O16S4/c1-55-25-9-15(3-5-23(25)37-39-31-27(59(49,50)51)11-17-7-19(57(43,44)45)13-21(35)29(17)33(31)41)16-4-6-24(26(10-16)56-2)38-40-32-28(60(52,53)54)12-18-8-20(58(46,47)48)14-22(36)30(18)34(32)42/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)/b39-37+,40-38+
InChIKeyKIZIRROTJQVUGJ-HVMBLDELSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
carcinogenic agent  A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
Applications:
histological dye  A dye used in microscopic or electron microscopic examination of cells and tissues to give contrast and to highlight particular features of interest, such as nuclei and cytoplasm.
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
Pontamine sky blue 5B (acid form) (CHEBI:88195) has role carcinogenic agent (CHEBI:50903)
Pontamine sky blue 5B (acid form) (CHEBI:88195) has role fluorochrome (CHEBI:51217)
Pontamine sky blue 5B (acid form) (CHEBI:88195) has role histological dye (CHEBI:77178)
Pontamine sky blue 5B (acid form) (CHEBI:88195) is a aminonaphthalenesulfonic acid (CHEBI:38210)
Pontamine sky blue 5B (acid form) (CHEBI:88195) is a aromatic ether (CHEBI:35618)
Pontamine sky blue 5B (acid form) (CHEBI:88195) is a azobenzenes (CHEBI:22682)
Pontamine sky blue 5B (acid form) (CHEBI:88195) is a bis(azo) compound (CHEBI:48960)
Pontamine sky blue 5B (acid form) (CHEBI:88195) is a naphthols (CHEBI:25392)
Pontamine sky blue 5B (acid form) (CHEBI:88195) is a ring assembly (CHEBI:36820)
Pontamine sky blue 5B (acid form) (CHEBI:88195) is conjugate acid of Pontamine sky blue 5B(4−) (CHEBI:88196)
Incoming Relation(s)
Pontamine sky blue 5B(4−) (CHEBI:88196) is conjugate base of Pontamine sky blue 5B (acid form) (CHEBI:88195)
IUPAC Name 
3,3'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(diazene-2,1-diyl)]bis(5-amino-4-hydroxynaphthalene-2,7-disulfonic acid)
Synonyms  Source
C.I. Direct Blue 15 (acid form)ChEBI
Pontamine sky blue 5B free acidChEBI
C.I. Direct Blue 15 free acidChEBI
Registry NumbersSources
Reaxys:740802Reaxys