Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:51901 - C7-indocyanine
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
C7-indocyanine
ChEBI ID
CHEBI:51901
Definition
A C7 cyanine dye having 1-ethyl-3,3-dimethylindoleinine units at each end.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C31H37IN2
Net Charge
0
Average Mass
564.54330
Monoisotopic Mass
564.20014
InChI
InChI=1S/C31H37N2.HI/c1-
7-
32-
26-
20-
16-
14-
18-
24(26)
30(3,4)
28(32)
22-
12-
10-
9-
11-
13-
23-
29-
31(5,6)
25-
19-
15-
17-
21-
27(25)
33(29)
8-
2;/h9-
23H,7-
8H2,1-
6H3;1H/q+1;/p-
1
InChIKey
MOCQTYXDGSDJGM-UHFFFAOYSA-M
SMILES
[I-].[H]C(=CC([H])=CC([H])=C1N(CC)c2ccccc2C1(C)C)C=C([H])C1=[N+](CC)c2ccccc2C1(C)C
Roles Classification
Application
(s):
fluorochrome
A fluorescent dye used to stain biological specimens.
dye
(via
cyanine dye
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
C7-indocyanine (
CHEBI:51901
)
has part
C7-indocyanine cation (
CHEBI:52813
)
C7-indocyanine (
CHEBI:51901
)
has role
fluorochrome (
CHEBI:51217
)
C7-indocyanine (
CHEBI:51901
)
is a
cyanine dye (
CHEBI:37960
)
C7-indocyanine (
CHEBI:51901
)
is a
organic iodide salt (
CHEBI:50356
)
Incoming
Cy7 dye (
CHEBI:52718
)
has functional parent
C7-indocyanine (
CHEBI:51901
)
diIC18(7) dye (
CHEBI:52033
)
has functional parent
C7-indocyanine (
CHEBI:51901
)
omocianine (
CHEBI:59529
)
has functional parent
C7-indocyanine (
CHEBI:51901
)
IUPAC Name
1-
ethyl-
2-
[7-
(1-
ethyl-
3,3-
dimethyl-
1,3-
dihydro-
2
H
-
indol-
2-
ylidene)hepta-
1,3,5-
trien-
1-
yl]-
3,3-
dimethyl-
3
H
-
indolium iodide
Synonym
Source
Indotricarbocyanine (C7) dye
ChEBI
Last Modified
20 May 2010