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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:51905 - calcein red-orange
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ChEBI Ontology
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ChEBI Name
calcein red-orange
ChEBI ID
CHEBI:51905
Definition
A BODIPY dye-based amide conjugate.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C35H42BF2N5O13
Net Charge
0
Average Mass
789.54169
Monoisotopic Mass
789.28402
InChI
InChI=1S/C35H42BF2N5O13/c1-
23(44)
51-
20-
54-
33(48)
18-
41(19-
34(49)
55-
21-
52-
24(2)
45)
31(35(50)
56-
22-
53-
25(3)
46)
8-
4-
5-
15-
40-
32(47)
14-
12-
26-
9-
10-
27-
17-
28-
11-
13-
30(29-
7-
6-
16-
39-
29)
43(28)
36(37,38)
42(26)
27/h6-
7,9-
11,13,16-
17,31,39H,4-
5,8,12,14-
15,18-
22H2,1-
3H3,(H,40,47)
InChIKey
WFHBUNFOPLJWOX-UHFFFAOYSA-N
SMILES
CC(=O)
OCOC(=O)
CN(CC(=O)
OCOC(C)
=O)
C(CCCCNC(=O)
CCC1=[N+]
2C(C=C1)
=Cc1ccc(-
c3ccc[nH]
3)
n1[B-
]
2(F)
F)
C(=O)
OCOC(C)
=O
Roles Classification
Application
(s):
fluorochrome
A fluorescent dye used to stain biological specimens.
dye
(via
BODIPY dye
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
calcein red-orange (
CHEBI:51905
)
has functional parent
4,4-difluoro-4-bora-3a,4a-diaza-
s
-indacene (
CHEBI:51107
)
calcein red-orange (
CHEBI:51905
)
has role
fluorochrome (
CHEBI:51217
)
calcein red-orange (
CHEBI:51905
)
is a
BODIPY dye (
CHEBI:51123
)
IUPAC Name
[(acetyloxy)methyl
N
2
,
N
2
-
bis{2-
[(acetyloxy)methoxy]-
2-
oxoethyl}-
N
6
-
(3-
{2-
[(1
H
,1'
H
-
2,2'-
bipyrrol-
5-
yl-
κ
N
1
)methylidene]-
2
H
-
pyrrol-
5-
yl-
κ
N
}propanoyl)lysinatato](difluoro)boron
Synonym
Source
Calcein R-O
ChEBI
Last Modified
09 July 2009