CHEBI:189720 - p-hydroxyatorvastatin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name p-hydroxyatorvastatin
ChEBI ID CHEBI:189720
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H35FN2O6
Net Charge 0
Average Mass 574.649
Monoisotopic Mass 574.24792
InChI InChI=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)/t26-,27-/m1/s1
InChIKey SOZOATLLFFVAPM-KAYWLYCHSA-N
SMILES FC1=CC=C(C=2N(C(C(C)C)=C(C2C3=CC=CC=C3)C(=O)NC4=CC=C(O)C=C4)CC[C@@H](O)C[C@@H](O)CC(O)=O)C=C1
ChEBI Ontology
Outgoing p-hydroxyatorvastatin (CHEBI:189720) is a pyrroles (CHEBI:26455)
IUPAC Name
(3R,5R)-7-[2-(4-luorophenyl)-4-[(4-hydroxyphenyl)carbamoyl]-3-phenyl-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid
Manual Xref Database
8026819 ChemSpider
View more database links
Registry Number Type Source
214217-88-6 CAS Registry Number ChemIDplus