CHEBI:88858 - 3-methyleneheptane

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ChEBI Name 3-methyleneheptane
ChEBI ID CHEBI:88858
Definition An alkene that is heptane which carries a methylidene group at position 3.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C8H16
Net Charge 0
Average Mass 112.216
Monoisotopic Mass 112.12520
InChI InChI=1S/C8H16/c1-4-6-7-8(3)5-2/h3-7H2,1-2H3
InChIKey XTVRLCUJHGUXCP-UHFFFAOYSA-N
SMILES CCCCC(=C)CC
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in saliva (UBERON:0001836). See: PubMed
Homo sapiens (NCBI:txid9606) Found in faeces (UBERON:0001988). See: PubMed
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
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ChEBI Ontology
Outgoing 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 Sources
2-ethyl hexene-1 ChemIDplus
2-ethyl-1-hexene ChemIDplus
2-ethylhex-1-ene ChemIDplus
2-ethylhexene ChemIDplus
3-methylene-heptane ChEBI
Manual Xref Database
HMDB0061907 HMDB
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Registry Numbers Types Sources
1632-16-2 CAS Registry Number NIST Chemistry WebBook
1632-16-2 CAS Registry Number ChemIDplus
1733407 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
12926388 PubMed citation Europe PMC
17314143 PubMed citation Europe PMC
23280741 PubMed citation Europe PMC
24421258 PubMed citation Europe PMC
30428374 PubMed citation Europe PMC
Last Modified
22 February 2021