EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:207610 - Monacolin P

ChEBI IDCHEBI:207610
ChEBI NameMonacolin P
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H44O8
Net Charge0
Average Mass484.630
Monoisotopic Mass484.30362
SMILESCCC(C)C(=O)O[C@H]1C[C@@H](C)[C@@H](O)C2=C[C@@H](OC)[C@H](C)[C@H](CC[C@H](O)C[C@H](O)CC(=O)OC)[C@H]21
InChIInChI=1S/C26H44O8/c1-7-14(2)26(31)34-22-10-15(3)25(30)20-13-21(32-5)16(4)19(24(20)22)9-8-17(27)11-18(28)12-23(29)33-6/h13-19,21-22,24-25,27-28,30H,7-12H2,1-6H3/t14?,15-,16-,17+,18+,19+,21-,22+,24-,25-/m1/s1
InChIKeyHEXISAIDDNYBOX-BIZSTCAJSA-N
Species of MetaboliteComponentSourceComments
Monascus purpureus (ncbitaxon:5098) - PubMed (23659665)
ChEBI Ontology
Outgoing Relation(s)
Monacolin P (CHEBI:207610) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
methyl (3S,5S)-7-[(1S,2R,3S,5R,6R,8S,8aR)-5-hydroxy-3-methoxy-2,6-dimethyl-8-(2-methylbutanoyloxy)-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate
Manual XrefsDatabases
78441278ChemSpider