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CHEBI:89985 - 3-methylheptane

ChEBI IDCHEBI:89985
ChEBI Name3-methylheptane
Stars
Last Modified3 March 2025
DownloadsMolfile
FormulaC8H18
Net Charge0
Average Mass114.232
Monoisotopic Mass114.14085
SMILESCCCCC(C)CC
InChIInChI=1S/C8H18/c1-4-6-7-8(3)5-2/h8H,4-7H2,1-3H3
InChIKeyLAIUFBWHERIJIH-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
faeces (UBERON:0001988) PubMed (17314143)
saliva (UBERON:0001836) PubMed (24421258)
ChEBI Ontology
Outgoing Relation(s)
3-methylheptane (CHEBI:89985) is a alkane (CHEBI:18310)
Synonyms  Source
3-Methyl-(S)-HeptaneHMDB
2-EthylhexaneHMDB
3-Methyl-HeptaneHMDB
3-methylheptaneHMDB
Manual XrefsDatabases
HMDB0031583HMDB
3-MethylheptaneWikipedia
Registry NumbersSources
CAS:589-81-1KEGG COMPOUND
Citations