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CHEBI:177719 - Avasimibe

ChEBI IDCHEBI:177719
ChEBI NameAvasimibe
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H43NO4S
Net Charge0
Average Mass501.733
Monoisotopic Mass501.29128
SMILESCC(C)c1cc(C(C)C)c(CC(=O)NS(=O)(=O)Oc2c(C(C)C)cccc2C(C)C)c(C(C)C)c1
InChIInChI=1S/C29H43NO4S/c1-17(2)22-14-25(20(7)8)27(26(15-22)21(9)10)16-28(31)30-35(32,33)34-29-23(18(3)4)12-11-13-24(29)19(5)6/h11-15,17-21H,16H2,1-10H3,(H,30,31)
InChIKeyPTQXTEKSNBVPQJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) Sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
Avasimibe (CHEBI:177719) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
[2,6-di(propan-2-yl)phenyl] N-[2-[2,4,6-tri(propan-2-yl)phenyl]acetyl]sulamate
Manual XrefsDatabases
D03012KEGG DRUG
LSM-45417LINCS
145759ChemSpider
DB06442DrugBank
Registry NumbersSources
CAS:166518-60-1ChemIDplus