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ChEBI
> Main
CHEBI:85275 - (3
E
)-phycocyanobilin(2−)
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ChEBI Name
(3
E
)-phycocyanobilin(2−)
ChEBI ID
CHEBI:85275
ChEBI ASCII Name
(3E)-phycocyanobilin(2-)
Definition
A dicarboxylic acid dianion obtained by deprotonation of the carboxy groups of (3
E
)-phycocyanobilin; major species at pH 7.3.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Kristian Axelsen
Supplier Information
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Formula
C33H36N4O6
Net Charge
-2
Average Mass
584.674
Monoisotopic Mass
584.26458
InChI
InChI=1S/C33H38N4O6/c1-
7-
20-
19(6)
32(42)
37-
27(20)
14-
25-
18(5)
23(10-
12-
31(40)
41)
29(35-
25)
15-
28-
22(9-
11-
30(38)
39)
17(4)
24(34-
28)
13-
26-
16(3)
21(8-
2)
33(43)
36-
26/h7,13-
15,19,34H,8-
12H2,1-
6H3,(H,36,43)
(H,37,42)
(H,38,39)
(H,40,41)
/p-
2/b20-
7+,26-
13-
,27-
14-
,29-
15-
/t19-
/m1/s1
InChIKey
XAVVMXGLKJSJDU-GQEYZBMCSA-L
SMILES
CCC1=C(C)
\C(NC1=O)
=C\C1=C(C)
C(CCC([O-
]
)
=O)
=C(N1)
\C=C1/N=C(/C=C2\NC(=O)
[C@H]
(C)
\C\2=C/C)
C(C)
=C1CCC([O-
]
)
=O
ChEBI Ontology
Outgoing
(3
E
)-phycocyanobilin(2−) (
CHEBI:85275
)
is a
dicarboxylic acid dianion (
CHEBI:28965
)
(3
E
)-phycocyanobilin(2−) (
CHEBI:85275
)
is a
linear tetrapyrrole anion (
CHEBI:59252
)
(3
E
)-phycocyanobilin(2−) (
CHEBI:85275
)
is conjugate base of
(3
E
)-phycocyanobilin (
CHEBI:47957
)
Incoming
(3
E
)-phycocyanobilin (
CHEBI:47957
)
is conjugate acid of
(3
E
)-phycocyanobilin(2−) (
CHEBI:85275
)
Synonym
Source
(2
R
,3
E
)-phycocyanobilin
UniProt
Manual Xref
Database
CPD-17222
MetaCyc
View more database links
Citation
Type
Source
17726096
PubMed citation
SUBMITTER
Last Modified
03 August 2020