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(Q113949427)
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English
(Z)-7-[(1S,5R)-5-[(E,3R)-3-hydroxyoct-1-enyl]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
334.21440943999994
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
15R-hydroxy-11-oxo-5Z,9,13E-prostatrienoic acid-cyclo[8S,12S]
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
7-[(1S,5R)-5-[(E,3S)-3-hydroxyoct-1-enyl]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
15S-hydroxy-11-oxo-5Z,9,13E-prostatrienoic acid-cyclo[8S,12S]
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
PGJ2
1 reference
based on heuristic
inferred from InChI
15R-hydroxy-11-oxo-5Z,9,13E-prostatrienoic acid-cyclo[8R,12R]
1 reference
based on heuristic
inferred from InChI
15S-hydroxy-11-oxo-5Z,9,13E-prostatrienoic acid-cyclo[8R,12R]
1 reference
based on heuristic
inferred from InChI
11-oxo-15S-hydroxy-5Z,9,13E-prostatrienoic acid-cyclo[8R,12S]
1 reference
based on heuristic
inferred from InChI
11-oxo-15R-hydroxy-5Z,9,13E-prostatrienoic acid-cyclo[8R,12S]
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₀O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCCCC(O)C=CC1C(=O)C=CC1CC=CCCCC(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCCCC[C@H](/C=C/[C@@H]1[C@H](C=CC1=O)C/C=C\CCCC(=O)O)O
1 reference
based on heuristic
inferred from SMILES
Identifiers
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)/b7-4-,14-13+/t16-,17+,18+/m0/s1
1 reference
based on heuristic
inferred from SMILES
InChIKey
UQOQENZZLBSFKO-ZGCAFGAXSA-N
0 references
PubChem CID
35024319
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UQOQENZZLBSFKO-ZGCAFGAXSA-N
UniChem compound ID
299648
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50860752
1 reference
matched by identifier from
InChIKey
InChIKey
UQOQENZZLBSFKO-ZGCAFGAXSA-N
LIPID MAPS ID
LMFA03110133
0 references
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