loading...| Preferred Name |
orlistat |
|
| Synonyms |
(2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl N-formyl-L-leucinate (2S)-2-formamido-4-methylpentanoic acid [(2S)-1-[(2S,3S)-3-hexyl-4-oxo-2-oxetanyl]tridecan-2-yl] ester orlistat orlistatum Xenical (-)-tetrahydrolipostatin Ro-18-0647 Alli orlipastat N-formyl-L-leucine (1S)-1-{[(2S,3S)-3-hexyl-4-oxo-2-oxetanyl]methyl}dodecyl ester |
|
| Definitions |
A carboxylic ester resulting from the formal condensation of the carboxy group of N-formyl-L-leucine with the hydroxy group of (3S,4S)-3-hexyl-4-[(2S)-2-hydroxytridecyl]oxetan-2-one. A pancreatic lipase inhibitor, it is used as an anti-obesity drug. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_94686 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:27793869 PMID:28260907 PMID:28097013 Drug_Central:1996 PMID:28559211 PMID:28588183 PMID:28624425 PMID:28191026 Patent:EP129748 KEGG:D04028 Reaxys:3658031 Wikipedia:Orlistat CAS:96829-58-2 PMID:28387458 Patent:US4598089 LINCS:LSM-5724 |
|
| definition |
A carboxylic ester resulting from the formal condensation of the carboxy group of N-formyl-L-leucine with the hydroxy group of (3S,4S)-3-hexyl-4-[(2S)-2-hydroxytridecyl]oxetan-2-one. A pancreatic lipase inhibitor, it is used as an anti-obesity drug. |
|
| formula |
C29H53NO5 |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_71476 http://purl.obolibrary.org/obo/CHEBI_65001 |
|
| has_exact_synonym |
(2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl N-formyl-L-leucinate |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
(2S)-2-formamido-4-methylpentanoic acid [(2S)-1-[(2S,3S)-3-hexyl-4-oxo-2-oxetanyl]tridecan-2-yl] ester orlistat orlistatum Xenical (-)-tetrahydrolipostatin Ro-18-0647 Alli orlipastat N-formyl-L-leucine (1S)-1-{[(2S,3S)-3-hexyl-4-oxo-2-oxetanyl]methyl}dodecyl ester |
|
| id |
CHEBI:94686 |
|
| in_subset | ||
| inchi |
InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1 |
|
| inchikey |
AHLBNYSZXLDEJQ-FWEHEUNISA-N |
|
| label |
orlistat |
|
| mass |
495.736 |
|
| monoisotopicmass |
495.39237 |
|
| notation |
CHEBI:94686 |
|
| prefLabel |
orlistat |
|
| smiles |
[C@@]1(OC([C@]1(CCCCCC)[H])=O)(C[C@H](CCCCCCCCCCC)OC([C@@H](NC(=O)[H])CC(C)C)=O)[H] |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_25018 http://purl.obolibrary.org/obo/CHEBI_33308 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_25018 http://purl.obolibrary.org/obo/CHEBI_33308 |