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:5107 - Fluo-3
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
Fluo-3
ChEBI ID
CHEBI:5107
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
C36H30Cl2N2O13
Net Charge
0
Average Mass
769.53448
Monoisotopic Mass
768.11249
InChI
InChI=1S/C36H30Cl2N2O13/c1-
18-
2-
4-
24(39(14-
32(43)
44)
15-
33(45)
46)
30(8-
18)
51-
6-
7-
52-
31-
9-
19(3-
5-
25(31)
40(16-
34(47)
48)
17-
35(49)
50)
36-
20-
10-
22(37)
26(41)
12-
28(20)
53-
29-
13-
27(42)
23(38)
11-
21(29)
36/h2-
5,8-
13,41H,6-
7,14-
17H2,1H3,(H,43,44)
(H,45,46)
(H,47,48)
(H,49,50)
InChIKey
OZLGRUXZXMRXGP-UHFFFAOYSA-N
SMILES
Cc1ccc(N(CC(O)=O)CC(O)=O)c(OCCOc2cc(ccc2N(CC(O)=O)CC(O)=O)-c2c3cc(Cl)c(O)cc3oc3cc(=O)c(Cl)cc23)c1
Roles Classification
Application
(s):
fluorochrome
A fluorescent dye used to stain biological specimens.
dye
(via
xanthene dye
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Fluo-3 (
CHEBI:5107
)
has role
fluorochrome (
CHEBI:51217
)
Fluo-3 (
CHEBI:5107
)
is a
xanthene dye (
CHEBI:37929
)
IUPAC Name
{[2-
(2-
{2-
[bis(carboxymethyl)amino]-
5-
(2,7-
dichloro-
6-
hydroxy-
3-
oxo-
3
H
-
xanthen-
9-
yl)phenoxy}ethoxy)-
4-
methylphenyl](carboxymethyl)amino}acetic acid
Synonyms
Sources
Fluo-3
KEGG COMPOUND
N
-
(2-
(2-
(2-
(bis(carboxymethyl)amino)-
5-
(2,7-
dichloro-
6-
hydroxy-
3-
oxo-
3
H
-
xanthene-
9-
yl)phenoxy)ethoxy)-
4-
methylphenyl)-
N
-
(carboxymethyl)-
glycine
ChemIDplus
Manual Xref
Database
C11369
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
10636569
Beilstein Registry Number
Beilstein
123632-39-3
CAS Registry Number
ChemIDplus
Last Modified
28 June 2010