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CHEBI:14158 - dihydromonacolin L

ChEBI IDCHEBI:14158
ChEBI Namedihydromonacolin L
Stars
DefinitionA pyranone obtained by selective hydrogenation of the 4a,5-double bond in monacolin L.
Last Modified7 September 2017
DownloadsMolfile
FormulaC19H30O3
Net Charge0
Average Mass306.446
Monoisotopic Mass306.21949
SMILES[H][C@@]12C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@]1([H])CC[C@@H](C)C2
InChIInChI=1S/C19H30O3/c1-12-3-7-18-14(9-12)5-4-13(2)17(18)8-6-16-10-15(20)11-19(21)22-16/h4-5,12-18,20H,3,6-11H2,1-2H3/t12-,13+,14+,15-,16-,17+,18+/m1/s1
InChIKeyAGNDLYBQPUJADV-VCWNUMGPSA-N
ChEBI Ontology
Outgoing Relation(s)
dihydromonacolin L (CHEBI:14158) has functional parent monacolin L (CHEBI:50130)
dihydromonacolin L (CHEBI:14158) is a 2-pyranones (CHEBI:75885)
dihydromonacolin L (CHEBI:14158) is a octahydronaphthalenes (CHEBI:138397)
Incoming Relation(s)
dihydromonacolin L acid (CHEBI:82970) has functional parent dihydromonacolin L (CHEBI:14158)
IUPAC Name 
(4R,6R)-6-{2-[(1S,2S,4aR,6R,8aS)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]ethyl}-4-hydroxyoxan-2-one
Synonyms  Source
(4R,6R)-6-{2-[(1S,2S,4aR,6R,8aS)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]ethyl}-4-hydroxytetrahydro-2H-pyran-2-oneIUPAC
dihydromonacolin L lactoneChEBI
UniProt Name  Source
dihydromonacolin LUniProt
Manual XrefsDatabases
C00018630KNApSAcK
C15536KEGG COMPOUND
Registry NumbersSources
Reaxys:9429050Reaxys
CAS:86827-77-2KEGG COMPOUND
Citations