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Neuroscience Information Framework (NIF) Standard Ontology
| Preferred Name | lovastatin | |
| Synonyms |
ML-530B Mevinolin 2beta,6alpha-dimethyl-8alpha-(2-methyl-1-oxobutoxy)-mevinic acid lactone 6alpha-methylcompactin (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-(2R,4R)-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl (S)-2-methyl-butyrate Mevacor MK-803 (1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2S)-2-methylbutanoate LOVASTATIN Lovastatin lovastatin |
|
| Definitions |
A fatty acid ester that is mevastatin carrying an additional methyl group on the carbobicyclic skeleton. It is used in as an anticholesteremic drug and has been found in fungal species such as Aspergillus terreus and Pleurotus ostreatus (oyster mushroom). |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_40303 |
|
| alternative label |
ML-530B Mevinolin 2beta,6alpha-dimethyl-8alpha-(2-methyl-1-oxobutoxy)-mevinic acid lactone 6alpha-methylcompactin (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-(2R,4R)-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl (S)-2-methyl-butyrate Mevacor MK-803 (1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2S)-2-methylbutanoate LOVASTATIN Lovastatin lovastatin
|
|
| charge |
0
|
|
| database_cross_reference |
Wikipedia:Lovastatin PMID:11375168 Beilstein:3631989 PMID:11483865 LINCS:LSM-2189 Patent:WO2013090461 CAS:75330-75-5 KEGG:D00359 PMID:11389707 KNApSAcK:C00000547 KEGG:C07074 PDBeChem:803 PMID:7720768 Patent:CN103172602 HMDB:HMDB0014372 Drug_Central:1612 DrugBank:DB00227 PMID:24093797 PMID:18642339 Reaxys:4720754
|
|
| definition |
A fatty acid ester that is mevastatin carrying an additional methyl group on the carbobicyclic skeleton. It is used in as an anticholesteremic drug and has been found in fungal species such as Aspergillus terreus and Pleurotus ostreatus (oyster mushroom).
|
|
| formula |
C24H36O5
|
|
| has characteristic |
http://purl.obolibrary.org/obo/CHEBI_35610 |
|
| has exact synonym |
(1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2S)-2-methylbutanoate LOVASTATIN Lovastatin lovastatin
|
|
| has functional parent | ||
| has role |
http://purl.obolibrary.org/obo/CHEBI_35610 |
|
| has_alternative_id |
CHEBI:6544 CHEBI:40299
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
ML-530B Mevinolin 2beta,6alpha-dimethyl-8alpha-(2-methyl-1-oxobutoxy)-mevinic acid lactone 6alpha-methylcompactin (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-(2R,4R)-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl (S)-2-methyl-butyrate Mevacor MK-803
|
|
| id |
CHEBI:40303
|
|
| in_subset | ||
| inchi |
InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1
|
|
| inchikey |
PCZOHLXUXFIOCF-BXMDZJJMSA-N
|
|
| label |
lovastatin
|
|
| mass |
404.53964
|
|
| monoisotopicmass |
404.25627
|
|
| notation |
CHEBI:40303
|
|
| note |
A fatty acid ester that is mevastatin carrying an additional methyl group on the carbobicyclic skeleton. It is used in as an anticholesteremic drug and has been found in fungal species such as Aspergillus terreus and Pleurotus ostreatus (oyster mushroom).
|
|
| preferred label |
lovastatin
|
|
| prefLabel |
lovastatin
|
|
| smiles |
[H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)[C@@H](C)CC
|
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_35748 http://purl.obolibrary.org/obo/CHEBI_87632 http://purl.obolibrary.org/obo/CHEBI_142348 |
| Delete | Subject | Author | Type | Created |
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