CHEBI:89187 - 2,6-Di-tert-butylbenzoquinone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2,6-Di-tert-butylbenzoquinone
ChEBI ID CHEBI:89187
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C14H20O2
C14H20O2
Net Charge 0
Average Mass 220.308
Monoisotopic Mass 220.14633
InChI InChI=1S/C14H20O2/c1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6/h7-8H,1-6H3
InChIKey RDQSIADLBQFVMY-UHFFFAOYSA-N
SMILES C1=C(C(=O)C(=CC1=O)C(C)(C)C)C(C)(C)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: Zhang, S., Liu, L., Steffen, D., Ye, T., Raftery, D. (2012) Metabolic profiling of gender: Headspace-SPME/GC–MS and 1H NMR analysis of urine. Metabolomics 8:323–334.
ChEBI Ontology
Outgoing 2,6-Di-tert-butylbenzoquinone (CHEBI:89187) is a 1,4-benzoquinones (CHEBI:132124)
Synonyms Sources
2, 6-Di-tert-butyl-p-benzoquinone HMDB
2, 6-Di-tert-butylquinone HMDB
2,6-Bis(1, 1-Dimethylethyl)-2,5-cyclohexadiene-1,4-dione HMDB
2,6-Bis(1,1-Dimethylethyl)-2,5-cyclohexadiene-1,4-dione HMDB
2,6-Bis(1,1-dimethylethyl)-2,5-Cyclohexadiene-1,4-dione HMDB
2,6-Bis-(1,1-Dimethylethyl)-2,5-cycloxehadien-1,4-dione HMDB
2,6-Bis-tert-Butylbenzoquinone HMDB
2,6-Di-t-Butyl-p-benzoquinone HMDB
2,6-di-tert-butyl-1,4-benzoquinone HMDB
2,6-Di-tert-butyl-1,4-benzoquinone HMDB
2,6-Di-tert-butyl-p-Benzoquinone HMDB
2,6-di-tert-butyl-p-benzoquinone HMDB
2,6-Di-tert-Butyl-p-benzoquinone HMDB
2,6-Di-tert-Butyl-para-benzoquinone HMDB
2,6-di-tert-butylcyclohexa-2,5-diene-1,4-dione HMDB
2,6-Di-tert-butylquinone HMDB
2,6-Ditert-butylbenzo-1,4-quinone (ACD/Name 4.0) HMDB
Benzoquinone, 2,6-di-(1,1-dimethylethyl) HMDB
DBQ HMDB
p-Benzoquinone, 2,6-bis-(1,1-dimethylethyl) HMDB
Manual Xref Database
HMDB0013817 HMDB
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Registry Number Type Source
719-22-2 CAS Registry Number KEGG COMPOUND
Last Modified
03 June 2016