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ChEBI
> Main
CHEBI:72719 - 4
E
,15
Z
-bilirubin IXa
Main
ChEBI Ontology
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ChEBI Name
4
E
,15
Z
-bilirubin IXa
ChEBI ID
CHEBI:72719
ChEBI ASCII Name
4E,15Z-bilirubin IXa
Definition
A linear tetrapyrrole, product of heme degradation. An isomer of bilirubin.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C33H36N4O6
Net Charge
0
Average Mass
584.66210
Monoisotopic Mass
584.26348
InChI
InChI=1S/C33H36N4O6/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-
8,13-
14,34-
35H,1-
2,9-
12,15H2,3-
6H3,(H,36,43)
(H,37,42)
(H,38,39)
(H,40,41)
/b26-
13+,27-
14-
InChIKey
BPYKTIZUTYGOLE-KDUUSRDASA-N
SMILES
CC1=C(C=C)\C(NC1=O)=C\c1[nH]c(Cc2[nH]c(\C=C3NC(=O)C(C=C)=C\3C)c(C)c2CCC(O)=O)c(CCC(O)=O)c1C
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
4
E
,15
Z
-bilirubin IXa (
CHEBI:72719
)
has role
metabolite (
CHEBI:25212
)
4
E
,15
Z
-bilirubin IXa (
CHEBI:72719
)
is a
biladienes (
CHEBI:36735
)
4
E
,15
Z
-bilirubin IXa (
CHEBI:72719
)
is a
dicarboxylic acid (
CHEBI:35692
)
Synonym
Source
(4
E
)2,17-
diethenyl-
1,10,19,22,23,24-
hexahydro-
3,7,13,18-
tetramethyl-
1,19-
dioxo-
-
21
H
-
Biline-
8,12-
dipropanoic acid
HMDB
Manual Xref
Database
HMDB0000488
HMDB
View more database links
Registry Number
Type
Source
1236110
Reaxys Registry Number
Reaxys
Citations
Types
Sources
10986860
PubMed citation
Europe PMC
23078175
PubMed citation
Europe PMC
Last Modified
14 March 2013