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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:51923 - calcium crimson
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ChEBI Ontology
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ChEBI Name
calcium crimson
ChEBI ID
CHEBI:51923
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C65H69N5O24S2
Net Charge
0
Average Mass
1368.39200
Monoisotopic Mass
1367.37739
InChI
InChI=1S/C65H69N5O24S2/c1-
39(71)
86-
35-
90-
57(75)
31-
69(32-
58(76)
91-
36-
87-
40(2)
72)
52-
15-
5-
6-
16-
54(52)
84-
25-
26-
85-
55-
29-
45(17-
20-
53(55)
70(33-
59(77)
92-
37-
88-
41(3)
73)
34-
60(78)
93-
38-
89-
42(4)
74)
66-
95(79,80)
46-
18-
19-
47(56(30-
46)
96(81,82)
83)
61-
50-
27-
43-
11-
7-
21-
67-
23-
9-
13-
48(62(43)
67)
64(50)
94-
65-
49-
14-
10-
24-
68-
22-
8-
12-
44(63(49)
68)
28-
51(61)
65/h5-
6,15-
20,27-
30,66H,7-
14,21-
26,31-
38H2,1-
4H3
InChIKey
IDMLRIMDYVWWRJ-UHFFFAOYSA-N
SMILES
CC(=O)
OCOC(=O)
CN(CC(=O)
OCOC(C)
=O)
c1ccccc1OCCOc1cc(NS(=O)
(=O)
c2ccc(c(c2)
S([O-
]
)
(=O)
=O)
C2=c3cc4CCC[N+]
5=c4c(CCC5)
c3Oc3c4CCCN5CCCc(cc23)
c45)
ccc1N(CC(=O)
OCOC(C)
=O)
CC(=O)
OCOC(C)
=O
Roles Classification
Application
(s):
fluorochrome
A fluorescent dye used to stain biological specimens.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
calcium crimson (
CHEBI:51923
)
has role
fluorochrome (
CHEBI:51217
)
calcium crimson (
CHEBI:51923
)
is a
ammonium betaine (
CHEBI:35284
)
calcium crimson (
CHEBI:51923
)
is a
sulfonamide (
CHEBI:35358
)
IUPAC Name
5-
{[4-
(bis{2-
[(acetyloxy)methoxy]-
2-
oxoethyl}amino)-
3-
{2-
[2-
(bis{2-
[(acetyloxy)methoxy]-
2-
oxoethyl}amino)phenoxy]ethoxy}phenyl]sulfamoyl}-
2-
(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-
9-
yl)benzenesulfonate
Registry Number
Type
Source
138067-54-6
CAS Registry Number
ChemIDplus
Last Modified
18 April 2012