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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:33027 - atta
4−
Main
ChEBI Ontology
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ChEBI Name
atta
4−
ChEBI ID
CHEBI:33027
ChEBI ASCII Name
atta(4-)
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C39H29N5O8
Net Charge
-4
Average Mass
695.67646
Monoisotopic Mass
695.20381
InChI
InChI=1S/C39H33N5O8/c45-
35(46)
20-
43(21-
36(47)
48)
18-
27-
9-
5-
13-
31(40-
27)
33-
16-
26(39-
29-
11-
3-
1-
7-
24(29)
15-
25-
8-
2-
4-
12-
30(25)
39)
17-
34(42-
33)
32-
14-
6-
10-
28(41-
32)
19-
44(22-
37(49)
50)
23-
38(51)
52/h1-
17H,18-
23H2,(H,45,46)
(H,47,48)
(H,49,50)
(H,51,52)
/p-
4
InChIKey
OOFLZRMKTMLSMH-UHFFFAOYSA-J
SMILES
[O-
]
C(=O)
CN(CC([O-
]
)
=O)
Cc1cccc(n1)
-
c1cc(cc(n1)
-
c1cccc(CN(CC([O-
]
)
=O)
CC([O-
]
)
=O)
n1)
-
c1c2ccccc2cc2ccccc12
ChEBI Ontology
Outgoing
atta
4−
(
CHEBI:33027
)
is a
tetracarboxylic acid anion (
CHEBI:35754
)
atta
4−
(
CHEBI:33027
)
is conjugate base of
H
4
atta (
CHEBI:33024
)
Incoming
ep-atta
4−
(
CHEBI:37593
)
has functional parent
atta
4−
(
CHEBI:33027
)
[Eu(atta)]
−
(
CHEBI:33025
)
has part
atta
4−
(
CHEBI:33027
)
H
4
atta (
CHEBI:33024
)
is conjugate acid of
atta
4−
(
CHEBI:33027
)
IUPAC Name
2,2',2'',2'''-
[(4'-
anthracen-
9-
yl-
2,2':6',2''-
terpyridine-
6,6''-
diyl)bis(methylenenitrilo)]tetraacetate
Synonym
Source
2,2',2'',2'''-{[4'-(9-anthryl)-2,2':6',2''-terpyridine-6,6''-diyl]bis(methylenenitrilo)}tetraacetate
IUPAC
Registry Number
Type
Source
2398359
Gmelin Registry Number
Gmelin
Last Modified
28 July 2008