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CHEBI:50690 - atorvastatin(1−)

ChEBI IDCHEBI:50690
ChEBI Nameatorvastatin(1−)
Stars
ASCII Nameatorvastatin(1-)
Last Modified17 October 2009
SubmitterInma Spiteri
DownloadsMolfile
FormulaC33H34FN2O5
Net Charge-1
Average Mass557.642
Monoisotopic Mass557.24572
SMILESCC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-]
InChIInChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/p-1/t26-,27-/m1/s1
InChIKeyXUKUURHRXDUEBC-KAYWLYCHSA-M
ChEBI Ontology
Outgoing Relation(s)
atorvastatin(1−) (CHEBI:50690) is a carboxylic acid anion (CHEBI:29067)
atorvastatin(1−) (CHEBI:50690) is conjugate base of atorvastatin (CHEBI:39548)
Incoming Relation(s)
atorvastatin calcium (CHEBI:50686) has part atorvastatin(1−) (CHEBI:50690)
atorvastatin (CHEBI:39548) is conjugate acid of atorvastatin(1−) (CHEBI:50690)
IUPAC Name 
(3R,5R)-7-[3-(anilinocarbonyl)-5-(4-fluorophenyl)-2-isopropyl-4-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate