EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:168285 - para-hydroxyatorvastatin

ChEBI IDCHEBI:168285
ChEBI Namepara-hydroxyatorvastatin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H35FN2O6
Net Charge0
Average Mass574.649
Monoisotopic Mass574.24792
SMILESCC(C)c1c(C(=O)Nc2ccc(O)cc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC(O)CC(O)CC(=O)O
InChIInChI=1S/C33H35FN2O6/c1-20(2)31-30(33(42)35-24-12-14-25(37)15-13-24)29(21-6-4-3-5-7-21)32(22-8-10-23(34)11-9-22)36(31)17-16-26(38)18-27(39)19-28(40)41/h3-15,20,26-27,37-39H,16-19H2,1-2H3,(H,35,42)(H,40,41)
InChIKeySOZOATLLFFVAPM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
para-hydroxyatorvastatin (CHEBI:168285) is a pyrroles (CHEBI:26455)
IUPAC Name 
7-[2-(4-luorophenyl)-4-[(4-hydroxyphenyl)carbamoyl]-3-phenyl-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid
Manual XrefsDatabases
2610328ChemSpider
HMDB0061014HMDB