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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:133396 - prostaglandin J
2
(1−)
Main
ChEBI Ontology
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ChEBI Name
prostaglandin J
2
(1−)
ChEBI ID
CHEBI:133396
ChEBI ASCII Name
prostaglandin J2(1-)
Definition
A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin J
2
, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
abridge
Supplier Information
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Formula
C20H29O4
Net Charge
-1
Average Mass
333.443
Monoisotopic Mass
333.20713
InChI
InChI=1S/C20H30O4/c1-
2-
3-
6-
10-
17(21)
13-
14-
18-
16(12-
15-
19(18)
22)
9-
7-
4-
5-
8-
11-
20(23)
24/h4,7,12-
18,21H,2-
3,5-
6,8-
11H2,1H3,(H,23,24)
/p-
1/b7-
4-
,14-
13+/t16-
,17-
,18+/m0/s1
InChIKey
UQOQENZZLBSFKO-POPPZSFYSA-M
SMILES
C1=CC([C@@H]([C@H]1C/C=C\CCCC([O-])=O)/C=C/[C@@H](O)CCCCC)=O
ChEBI Ontology
Outgoing
prostaglandin J
2
(1−) (
CHEBI:133396
)
is a
prostaglandin carboxylic acid anion (
CHEBI:59326
)
prostaglandin J
2
(1−) (
CHEBI:133396
)
is conjugate base of
prostaglandin J
2
(
CHEBI:27485
)
Incoming
(
R
)-PGJ
2
-
S
-glutathione conjugate(2−) (
CHEBI:133771
)
has functional parent
prostaglandin J
2
(1−) (
CHEBI:133396
)
(
S
)-PGJ
2
-
S
-glutathione conjugate(2−) (
CHEBI:133772
)
has functional parent
prostaglandin J
2
(1−) (
CHEBI:133396
)
prostaglandin J
2
(
CHEBI:27485
)
is conjugate acid of
prostaglandin J
2
(1−) (
CHEBI:133396
)
IUPAC Name
(5
Z
,13
E
,15
S
)-15-hydroxy-11-oxoprosta-5,9,13-trien-1-oate
Synonyms
Sources
PGJ2
SUBMITTER
prostaglandin J
2
UniProt
Prostaglandin J2
SUBMITTER
Last Modified
10 February 2017