OntologiesdronclassesCHEBI:63695   
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(11R,16S)-misoprostolImported
http://purl.obolibrary.org/obo/CHEBI_63695

A methyl (13E)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oate that has 8S,11S,12S,16R-configuration. It is the pharmacologically active diastereoisomeric component of misoprostol.

Defined bychebi
Also appears inslm
Exact Synonyms
methyl (11alpha,13E,16S)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oate
Related Synonyms
(16S)-15-deoxy--16-hydroxy-16-methyl-PGE1 methyl ester
methyl 11R,16S-dihydroxy-16-methyl-9-oxoprost-13E-en-1-oate
class Information
charge

0

formula

C22H38O5

has_dbxref

Reaxys:6092906

has_obo_namespace

chebi_ontology

inchi

InChI=1S/C22H38O5/c1-4-5-14-22(2,26)15-10-12-18-17(19(23)16-20(18)24)11-8-6-7-9-13-21(25)27-3/h10,12,17-18,20,24,26H,4-9,11,13-16H2,1-3H3/b12-10+/t17-,18-,20-,22+/m1/s1

inchikey

OJLOPKGSLYJEMD-YCVNZHGXSA-N

in_subset

3_STAR

mass

382.53410

monoisotopicmass

382.27192

smiles

CCCC[C@](C)(O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC

class Relations