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CHEBI:183925 - Lovastatin hydroxy acid

Default Structure
ChEBI IDCHEBI:183925
ChEBI NameLovastatin hydroxy acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H37O6.Na
Net Charge0
Average Mass444.544
Monoisotopic Mass444.24878
SMILESCCC(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC(O)CC(O)CC(=O)[O-])C21.[Na+]
InChIInChI=1S/C24H38O6.Na/c1-5-15(3)24(29)30-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-18(25)12-19(26)13-22(27)28;/h6-7,10,14-16,18-21,23,25-26H,5,8-9,11-13H2,1-4H3,(H,27,28);/q;+1/p-1
InChIKeyLXZBFUBRYYVRQJ-UHFFFAOYSA-M
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
ChEBI Ontology
Outgoing Relation(s)
Lovastatin hydroxy acid (CHEBI:183925) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
sodium;7-[2,6-dimethyl-8-(2-methylbutanoyloxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate
Manual XrefsDatabases
14562388ChemSpider