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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:59601 - patent blue V
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ChEBI Ontology
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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.
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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
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