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Biological and Environmental Research Ontology
Last uploaded:
December 23, 2022
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| Preferred Name | unoprostone | |
| Synonyms |
(5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoic acid 13,14-dihydro-15-keto-20-ethyl PGF2alpha unoprostone (+)-(Z)-7-((1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl)-5-heptenoic acid (5Z,9alpha,11alpha)-9,11-dihydroxy-15-oxo-20a,20b-dihomoprost-5-en-1-oic acid |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_39455 |
|
| alternative term |
(5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoic acid 13,14-dihydro-15-keto-20-ethyl PGF2alpha unoprostone (+)-(Z)-7-((1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl)-5-heptenoic acid (5Z,9alpha,11alpha)-9,11-dihydroxy-15-oxo-20a,20b-dihomoprost-5-en-1-oic acid
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| bearer of | ||
| charge |
0
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|
| database_cross_reference |
Wikipedia:Unoprostone Beilstein:9363775 Reaxys:9363775 CAS:120373-36-6
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|
| formula |
C22H38O5
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|
| has_exact_synonym |
(5Z,9alpha,11alpha)-9,11-dihydroxy-15-oxo-20a,20b-dihomoprost-5-en-1-oic acid
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|
| has_obo_namespace |
chebi_ontology
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|
| has_related_synonym |
(5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoic acid 13,14-dihydro-15-keto-20-ethyl PGF2alpha unoprostone (+)-(Z)-7-((1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl)-5-heptenoic acid
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|
| id |
CHEBI:39455
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|
| in_subset | ||
| inchi |
InChI=1S/C22H38O5/c1-2-3-4-5-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-6-7-10-13-22(26)27/h6,9,18-21,24-25H,2-5,7-8,10-16H2,1H3,(H,26,27)/b9-6-/t18-,19-,20+,21-/m1/s1
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|
| inchikey |
TVHAZVBUYQMHBC-SNHXEXRGSA-N
|
|
| label |
unoprostone
|
|
| mass |
382.53412
|
|
| monoisotopicmass |
382.27192
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|
| notation |
CHEBI:39455
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|
| prefLabel |
unoprostone
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|
| RO_0000087 | ||
| smiles |
CCCCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
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|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_17087 |
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