CHEBI:177810 - Succinobucol

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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 Succinobucol
ChEBI ID CHEBI:177810
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C35H52O5S2
Net Charge 0
Average Mass 616.920
Monoisotopic Mass 616.32562
InChI InChI=1S/C35H52O5S2/c1-31(2,3)23-17-21(18-24(29(23)39)32(4,5)6)41-35(13,14)42-22-19-25(33(7,8)9)30(26(20-22)34(10,11)12)40-28(38)16-15-27(36)37/h17-20,39H,15-16H2,1-14H3,(H,36,37)
InChIKey RKSMVPNZHBRNNS-UHFFFAOYSA-N
SMILES S(C1=CC(C(C)(C)C)=C(OC(=O)CCC(O)=O)C(C(C)(C)C)=C1)C(SC2=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C2)(C)C
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in sausage (ENVO:00002166). See: MetaboLights Study
ChEBI Ontology
Outgoing Succinobucol (CHEBI:177810) is a benzoate ester (CHEBI:36054)
Succinobucol (CHEBI:177810) is a phenols (CHEBI:33853)
IUPAC Name
4-[2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulanylpropan-2-ylsulanyl]phenoxy]-4-oxobutanoic acid
Manual Xrefs Databases
187514 ChemSpider
D06648 KEGG DRUG
DB05399 KEGG DRUG
View more database links
Registry Number Type Source
216167-82-7 CAS Registry Number ChemIDplus