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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:28031 - prostaglandin E
3
Main
ChEBI Ontology
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ChEBI Name
prostaglandin E
3
ChEBI ID
CHEBI:28031
ChEBI ASCII Name
prostaglandin E3
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:8513, CHEBI:26324
Supplier Information
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Formula
C20H30O5
Net Charge
0
Average Mass
350.44920
Monoisotopic Mass
350.20932
InChI
InChI=1S/C20H30O5/c1-
2-
3-
6-
9-
15(21)
12-
13-
17-
16(18(22)
14-
19(17)
23)
10-
7-
4-
5-
8-
11-
20(24)
25/h3-
4,6-
7,12-
13,15-
17,19,21,23H,2,5,8-
11,14H2,1H3,(H,24,25)
/b6-
3-
,7-
4-
,13-
12+/t15-
,16+,17+,19+/m0/s1
InChIKey
CBOMORHDRONZRN-QLOYDKTKSA-N
SMILES
CC\C=C/C[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
See:
DOI
Roles Classification
Biological Role
(s):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
prostaglandin E
3
(
CHEBI:28031
)
has role
human metabolite (
CHEBI:77746
)
prostaglandin E
3
(
CHEBI:28031
)
is a
prostaglandins E (
CHEBI:26338
)
prostaglandin E
3
(
CHEBI:28031
)
is conjugate acid of
prostaglandin E
3
(1−) (
CHEBI:133132
)
Incoming
prostaglandin E
3
(1−) (
CHEBI:133132
)
is conjugate base of
prostaglandin E
3
(
CHEBI:28031
)
IUPAC Name
(5
Z
,13
E
,15
S
,17
Z
)-
11α,15-
dihydroxy-
9-
oxoprosta-
5,13,17-
trien-
1-
oic acid
Synonyms
Sources
(5
Z
,11α,13
E
,15
S
,17
Z
)-
11,15-
dihydroxy-
9-
oxoprosta-
5,13,17-
trien-
1-
oic acid
ChemIDplus
9-oxo-11
R
,15
S
-dihydroxy-5
Z
,13
E
,17
Z
-prostatrienoic acid
LIPID MAPS
PGE3
ChemIDplus
Prostaglandin E3
KEGG COMPOUND
Manual Xrefs
Databases
C06439
KEGG COMPOUND
LMFA03010135
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
2899956
Beilstein Registry Number
Beilstein
802-31-3
CAS Registry Number
KEGG COMPOUND
802-31-3
CAS Registry Number
ChemIDplus
Last Modified
23 October 2015