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ChEBI
> Main
CHEBI:89568 - bicyclo-PGE2
Main
ChEBI Ontology
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ChEBI Name
bicyclo-PGE2
ChEBI ID
CHEBI:89568
Stars
This entity has been manually annotated by a third party.
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Formula
C20H30O4
Net Charge
0
Average Mass
334.451
Monoisotopic Mass
334.21441
InChI
InChI=1S/C20H30O4/c1-
2-
3-
8-
16-
17-
13-
19(22)
15(14(17)
11-
12-
18(16)
21)
9-
6-
4-
5-
7-
10-
20(23)
24/h4,6,14-
17H,2-
3,5,7-
13H2,1H3,(H,23,24)
/b6-
4-
/t14-
,15-
,16?,17+/m1/s1
InChIKey
CGCZPIJMGKLVTQ-PAJBVNRRSA-N
SMILES
CCCCC1[C@H]2CC(=O)[C@H](C/C=C\CCCC(O)=O)[C@H]2CCC1=O
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
Found in blood
(UBERON:0000178)
. See:
PubMed
ChEBI Ontology
Outgoing
bicyclo-PGE2 (
CHEBI:89568
)
is a
prostanoid (
CHEBI:26347
)
Synonyms
Sources
(5Z)-7-[(1R,3aS,7aS)-4-butyl-2,5-dioxo-octahydro-1H-inden-1-yl]hept-5-enoic acid
HMDB
(5Z,11beta)-9,15-Dioxo-11,16-cycloprost-5-en-1-oic acid
HMDB
(Z)-7-[(1R,3aS,7aS)-4-butyl-2,5-dioxo-3,3a,4,6,7,7a-hexahydro-1H-inden-1-yl]hept-5-enoic acid
HMDB
Manual Xref
Database
HMDB0060054
HMDB
View more database links
Citation
Type
Source
20671299
PubMed citation
Europe PMC