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> Main
CHEBI:88858 - 3-methyleneheptane
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ChEBI Ontology
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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.
Supplier Information
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Molfile
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Molfile
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
).
View more via ChEBI Ontology
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
View more database links
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
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