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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:37593 - ep-atta
4−
Main
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ChEBI Name
ep-atta
4−
ChEBI ID
CHEBI:37593
ChEBI ASCII Name
ep-atta(4-)
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C39H29N5O10
Net Charge
-4
Average Mass
727.67526
Monoisotopic Mass
727.19364
InChI
InChI=1S/C39H33N5O10/c45-
34(46)
19-
43(20-
35(47)
48)
17-
24-
7-
5-
13-
30(40-
24)
32-
15-
23(39-
28-
11-
3-
1-
9-
26(28)
38(53-
54-
39)
27-
10-
2-
4-
12-
29(27)
39)
16-
33(42-
32)
31-
14-
6-
8-
25(41-
31)
18-
44(21-
36(49)
50)
22-
37(51)
52/h1-
16,38H,17-
22H2,(H,45,46)
(H,47,48)
(H,49,50)
(H,51,52)
/p-
4
InChIKey
YSUMREQLPRTMLX-UHFFFAOYSA-J
SMILES
[O-
]
C(=O)
CN(CC([O-
]
)
=O)
Cc1cccc(n1)
-
c1cc(cc(n1)
-
c1cccc(CN(CC([O-
]
)
=O)
CC([O-
]
)
=O)
n1)
C12OOC(c3ccccc13)
c1ccccc21
ChEBI Ontology
Outgoing
ep-atta
4−
(
CHEBI:37593
)
has functional parent
atta
4−
(
CHEBI:33027
)
ep-atta
4−
(
CHEBI:37593
)
is a
tetracarboxylic acid anion (
CHEBI:35754
)
Incoming
[Eu(ep-atta)]
−
(
CHEBI:33026
)
has part
ep-atta
4−
(
CHEBI:37593
)
IUPAC Name
2,2',2'',2'''-
{[4'-
(9,10-
epidioxyanthracen-
9(10
H
)-
yl)-
2,2':6',2''-
terpyridine-
6,6''-
diyl]bis(methylenenitrilo)}tetraacetate
Registry Number
Type
Source
2398379
Gmelin Registry Number
Gmelin
Last Modified
28 July 2008