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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:52780 - X-rhod-1
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ChEBI Ontology
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ChEBI Name
X-rhod-1
ChEBI ID
CHEBI:52780
Definition
A fluorescent dye having an absorption wavelength of 580 nm and an emission wavelength of 601 nm, derived from a xanthene-based heteroheptacycle.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C60H67BrN4O19
Net Charge
0
Average Mass
1228.09300
Monoisotopic Mass
1226.35829
InChI
InChI=1S/C60H67N4O19.BrH/c1-
36-
14-
16-
48(63(28-
52(69)
79-
32-
75-
37(2)
65)
29-
53(70)
80-
33-
76-
38(3)
66)
50(24-
36)
73-
22-
23-
74-
51-
27-
41(15-
17-
49(51)
64(30-
54(71)
81-
34-
77-
39(4)
67)
31-
55(72)
82-
35-
78-
40(5)
68)
56-
46-
25-
42-
10-
6-
18-
61-
20-
8-
12-
44(57(42)
61)
59(46)
83-
60-
45-
13-
9-
21-
62-
19-
7-
11-
43(58(45)
62)
26-
47(56)
60;/h14-
17,24-
27H,6-
13,18-
23,28-
35H2,1-
5H3;1H/q+1;/p-
1
InChIKey
MPFIISQEADXBEO-UHFFFAOYSA-M
SMILES
[Br-
]
.CC(=O)
OCOC(=O)
CN(CC(=O)
OCOC(C)
=O)
c1ccc(C)
cc1OCCOc1cc(ccc1N(CC(=O)
OCOC(C)
=O)
CC(=O)
OCOC(C)
=O)
C1=c2cc3CCC[N+]
4=c3c(CCC4)
c2Oc2c3CCCN4CCCc(cc12)
c34
Roles Classification
Application
(s):
fluorochrome
A fluorescent dye used to stain biological specimens.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
X-rhod-1 (
CHEBI:52780
)
has parent hydride
2,3,6,7,12,13,16,17-octahydropyrido[3,2,1-
ij
]quinolizino[1',9':6,7,8]chromeno[2,3-
f
]quinolin-18-ium (
CHEBI:52655
)
X-rhod-1 (
CHEBI:52780
)
has part
X-rhod-1(1+) (
CHEBI:52935
)
X-rhod-1 (
CHEBI:52780
)
has role
fluorochrome (
CHEBI:51217
)
X-rhod-1 (
CHEBI:52780
)
is a
organic bromide salt (
CHEBI:48369
)
X-rhod-1 (
CHEBI:52780
)
is a
organic heteroheptacyclic compound (
CHEBI:52157
)
IUPAC Name
9-
(4-
{bis[2-
(acetyloxymethoxy)-
2-
oxoethyl]amino}-
3-
[2-
(2-
{bis[2-
(acetyloxymethoxy)-
2-
oxoethyl]amino}-
5-
methylphenoxy)ethoxy]phenyl)-
2,3,6,7,12,13,16,17-
octahydro-
1
H
,5
H
,11
H
,15
H
-
pyrido[3,2,1-
ij
]quinolizino[1',9':6,7,8]chromeno[2,3-
f
]quinolin-
4-
ium bromide
Last Modified
06 August 2009