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CHEBI:177810 - Succinobucol

ChEBI IDCHEBI:177810
ChEBI NameSuccinobucol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H52O5S2
Net Charge0
Average Mass616.930
Monoisotopic Mass616.32562
SMILESCC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(OC(=O)CCC(=O)O)c(C(C)(C)C)c1
InChIInChI=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)
InChIKeyRKSMVPNZHBRNNS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
D06648KEGG DRUG
DB05399DrugBank
187514ChemSpider
Registry NumbersSources
CAS:216167-82-7ChemIDplus