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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Pontamine sky blue 5B (acid form)
ChEBI ID CHEBI:88195
Definition A 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'.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C34H28N6O16S4
Net Charge 0
Average Mass 904.882
Monoisotopic Mass 904.04446
InChI InChI=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+
InChIKey KIZIRROTJQVUGJ-HVMBLDELSA-N
SMILES C12=C(C=C(C(=C1O)/N=N/C3=CC=C(C=C3OC)C4=CC(=C(C=C4)/N=N/C5=C(C=C6C(=C5O)C(=CC(=C6)S(O)(=O)=O)N)S(O)(=O)=O)OC)S(O)(=O)=O)C=C(C=C2N)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 )
Biological Role(s): 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.
Application(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
C.I. Direct Blue 15 (acid form) ChEBI
C.I. Direct Blue 15 free acid ChEBI
Pontamine sky blue 5B free acid ChEBI
Registry Number Type Source
740802 Reaxys Registry Number Reaxys
Last Modified
13 October 2015