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English
Delta(12)-prostaglandin J3
chemical compound
Δ(12)-prostaglandin J3
δ(12)-PGJ3
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
332.19875937599994
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₀H₂₈O₄
0 references
canonical SMILES
CCC=CCC(O)CC=C1C(=O)C=CC1CC=CCCCC(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C(CCC(O)=O)/C=C\C[C@@H]1/C(/C(C=C1)=O)=C\C[C@H](C/C=C\CC)O
0 references
subject has role
primary metabolite
1 reference
stated in
Reactome
reference URL
https://reactome.org/PathwayBrowser/#/R-HSA-1430728&DTAB=MT
Identifiers
InChI
InChI=1S/C20H28O4/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/h3-4,6-7,12,14-17,21H,2,5,8-11,13H2,1H3,(H,23,24)/b6-3-,7-4-,18-14+/t16-,17-/m0/s1
0 references
InChIKey
MSLYURLMFHGOET-OLBAJUCDSA-N
1 reference
stated in
ChEBI release 2020-09-01
PubChem CID
71497989
1 reference
matched by identifier from
InChIKey
InChIKey
MSLYURLMFHGOET-OLBAJUCDSA-N
ChEBI ID
140274
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C20H28O4/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/h3-4,6-7,12,14-17,21H,2,5,8-11,13H2,1H3,(H,23,24)/b6-3-,7-4-,18-14+/t16-,17-/m0/s1
UniChem compound ID
54156303
1 reference
stated in
UniChem
LIPID MAPS ID
LMFA03010242
1 reference
stated in
LIPID MAPS
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
retrieved
15 April 2024
InChIKey
MSLYURLMFHGOET-OLBAJUCDSA-N
based on heuristic
InChIKey match
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