CHEBI:177719 - Avasimibe

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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 Avasimibe
ChEBI ID CHEBI:177719
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H43NO4S
Net Charge 0
Average Mass 501.730
Monoisotopic Mass 501.29128
InChI InChI=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)
InChIKey PTQXTEKSNBVPQJ-UHFFFAOYSA-N
SMILES S(OC1=C(C(C)C)C=CC=C1C(C)C)(=O)(=O)NC(=O)CC2=C(C(C)C)C=C(C=C2C(C)C)C(C)C
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in Sausage (ENVO:00002166). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
145759 ChemSpider
D03012 KEGG DRUG
DB06442 KEGG DRUG
LSM-45417 LINCS
View more database links
Registry Number Type Source
166518-60-1 CAS Registry Number ChemIDplus