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(Q76507210)
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English
7-[(1R,2Z)-2-[(E)-oct-2-enylidene]-5-oxocyclopent-3-en-1-yl]heptanoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
prostaglandins
0 references
mass
318.21949481999997
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₀H₃₀O₃
0 references
canonical SMILES
CCCCCC=CC=C1C=CC(=O)C1CCCCCCC(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCCCC/C=C/C=C\1/C=CC(=O)[C@@H]1CCCCCCC(=O)O
0 references
Identifiers
InChI
InChI=1S/C20H30O3/c1-2-3-4-5-6-9-12-17-15-16-19(21)18(17)13-10-7-8-11-14-20(22)23/h6,9,12,15-16,18H,2-5,7-8,10-11,13-14H2,1H3,(H,22,23)/b9-6+,17-12-/t18-/m1/s1
0 references
InChIKey
LDOCIRJMPUHXRM-YUJGFSRTSA-N
0 references
PubChem CID
16061103
1 reference
matched by identifier from
InChIKey
InChIKey
LDOCIRJMPUHXRM-YUJGFSRTSA-N
ChEBI ID
185661
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C20H30O3/c1-2-3-4-5-6-9-12-17-15-16-19(21)18(17)13-10-7-8-11-14-20(22)23/h6,9,12,15-16,18H,2-5,7-8,10-11,13-14H2,1H3,(H,22,23)/b9-6+,17-12-/t18-/m1/s1
UniChem compound ID
49285320
1 reference
stated in
UniChem
Probes And Drugs ID
PD021486
0 references
LIPID MAPS ID
LMFA03010171
1 reference
stated in
LIPID MAPS
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
retrieved
30 June 2018
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