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(Q106039050)
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PGE2 ethanolamide
chemical compound
(Z)-N-(2-hydroxyethyl)-7-[(1R,2R,3S)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enamide
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Statements
instance of
type of chemical entity
0 references
subclass of
(8xi)-11,15-Dihydroxy-N-(2-hydroxyethyl)-9-oxoprosta-5,13-dien-1-amide
1 reference
based on heuristic
inferred from SMILES
mass
395.26717328399997
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(Z)-N-(2-hydroxyethyl)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enamide
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₂H₃₇NO₅
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCCCC(O)C=CC1C(O)CC(=O)C1CC=CCCCC(O)=NCCO
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCCCC[C@H](O)/C=C/[C@H]1[C@@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)NCCO
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C22H37NO5/c1-2-3-6-9-17(25)12-13-19-18(20(26)16-21(19)27)10-7-4-5-8-11-22(28)23-14-15-24/h4,7,12-13,17-19,21,24-25,27H,2-3,5-6,8-11,14-16H2,1H3,(H,23,28)/b7-4-,13-12+/t17-,18+,19+,21-/m0/s1
1 reference
stated in
ChEBI release 2021-03-01
InChIKey
GKKWUSPPIQURFM-XXHBNTRVSA-N
1 reference
stated in
ChEBI release 2021-03-01
PubChem CID
35021785
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
InChIKey
InChIKey
GKKWUSPPIQURFM-XXHBNTRVSA-N
ChEBI ID
165333
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C22H37NO5/c1-2-3-6-9-17(25)12-13-19-18(20(26)16-21(19)27)10-7-4-5-8-11-22(28)23-14-15-24/h4,7,12-13,17-19,21,24-25,27H,2-3,5-6,8-11,14-16H2,1H3,(H,23,28)/b7-4-,13-12+/t17-,18+,19+,21-/m0/s1
UniChem compound ID
3153054
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0013038
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GKKWUSPPIQURFM-XXHBNTRVSA-N
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