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CHEBI:151050 - 2,3,6,7-tetramethyloctane

ChEBI IDCHEBI:151050
ChEBI Name2,3,6,7-tetramethyloctane
Stars
DefinitionAn alkane that is octane substituted by a methyl group at positions 2,3,6 and 7.
Last Modified18 February 2021
Submittermwilliams
DownloadsMolfile
FormulaC12H26
Net Charge0
Average Mass170.340
Monoisotopic Mass170.20345
SMILESCC(C)C(C)CCC(C)C(C)C
InChIInChI=1S/C12H26/c1-9(2)11(5)7-8-12(6)10(3)4/h9-12H,7-8H2,1-6H3
InChIKeyFZCGYGCYZRXLDY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) cell lysate (BTO:0004304) MetaboLights (MTBLS1079) Strain: Escherichia coli str. K-12 substr. DH10B [NCBITAXON:316385]
Cirsium setidens (ncbitaxon:859427) - PubMed (32545754)
Trichoderma harzianum (ncbitaxon:5544) cell suspension culture (BTO:0000221) PubMed (22407347) Strain: FA1132
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
2,3,6,7-tetramethyloctane (CHEBI:151050) has role bacterial metabolite (CHEBI:76969)
2,3,6,7-tetramethyloctane (CHEBI:151050) has role fungal metabolite (CHEBI:76946)
2,3,6,7-tetramethyloctane (CHEBI:151050) has role plant metabolite (CHEBI:76924)
2,3,6,7-tetramethyloctane (CHEBI:151050) is a alkane (CHEBI:18310)
2,3,6,7-tetramethyloctane (CHEBI:151050) is a volatile organic compound (CHEBI:134179)
IUPAC Name 
2,3,6,7-tetramethyloctane
Synonym  Source
2,3,6,7-tetramethyl-octaneChEBI
Manual XrefsDatabases
468347ChemSpider
Registry NumbersSources
CAS:52670-34-5NIST Chemistry WebBook
Citations