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

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	2,3,6,7-tetramethyloctane

ChEBI ID	CHEBI:151050

Definition	An alkane that is octane substituted by a methyl group at positions 2,3,6 and 7.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Mark Williams

Supplier Information

Download	Molfile XML SDF

Formula

C12H26

Net Charge

Average Mass

170.340

Monoisotopic Mass

170.20345

InChI

InChI=1S/C12H26/c1-9(2)11(5)7-8-12(6)10(3)4/h9-12H,7-8H2,1-6H3

InChIKey

FZCGYGCYZRXLDY-UHFFFAOYSA-N

SMILES

CC(C)C(C)CCC(C)C(C)C

Metabolite of Species	Details
Trichoderma harzianum (NCBI:txid5544)	Found in cell suspension culture (BTO:0000221). of strain FA1132 See: PubMed
Escherichia coli (NCBI:txid562)	Found in cell lysate (BTO:0004304). of strain Escherichia coli str. K-12 substr. DH10B [NCBITAXON:316385] See: MetaboLights Study
Cirsium setidens (NCBI:txid859427)	See: PubMed

Roles Classification
Biological Role(s):	bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. 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	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-octane	ChEBI

Registry Number	Type	Source
52670-34-5	CAS Registry Number	NIST Chemistry WebBook

Last Modified

18 February 2021