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CHEBI:88858 - 3-methyleneheptane

ChEBI IDCHEBI:88858
ChEBI Name3-methyleneheptane
Stars
DefinitionAn alkene that is heptane which carries a methylidene group at position 3.
Last Modified22 February 2021
DownloadsMolfile
FormulaC8H16
Net Charge0
Average Mass112.216
Monoisotopic Mass112.12520
SMILESC=C(CC)CCCC
InChIInChI=1S/C8H16/c1-4-6-7-8(3)5-2/h3-7H2,1-2H3
InChIKeyXTVRLCUJHGUXCP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
saliva (UBERON:0001836) PubMed (24421258)
faeces (UBERON:0001988) PubMed (17314143)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
3-methyleneheptane (CHEBI:88858) has role human metabolite (CHEBI:77746)
3-methyleneheptane (CHEBI:88858) is a alkene (CHEBI:32878)
3-methyleneheptane (CHEBI:88858) is a volatile organic compound (CHEBI:134179)
IUPAC Name 
3-methylideneheptane
Synonyms  Source
2-ethyl hexene-1ChemIDplus
2-ethylhex-1-eneChemIDplus
2-ethylhexeneChemIDplus
2-ethyl-1-hexeneChemIDplus
3-methylene-heptaneChEBI
Manual XrefsDatabases
HMDB0061907HMDB
Registry NumbersSources
Reaxys:1733407Reaxys
CAS:1632-16-2ChemIDplus
CAS:1632-16-2NIST Chemistry WebBook
Citations