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CHEBI:89985 - 3-Methylheptane
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ChEBI Name
3-Methylheptane
ChEBI ID
CHEBI:89985
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This entity has been manually annotated by a third party.
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Formula
C8H18
Net Charge
0
Average Mass
114.229
Monoisotopic Mass
114.14085
InChI
InChI=1S/C8H18/c1-4-6-7-8(3)5-2/h8H,4-7H2,1-3H3
InChIKey
LAIUFBWHERIJIH-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
ChEBI Ontology
Outgoing
3-Methylheptane (
CHEBI:89985
)
is a
alkane (
CHEBI:18310
)
Synonyms
Sources
2-Ethylhexane
HMDB
3-Methyl-(S)-Heptane
HMDB
3-Methyl-Heptane
HMDB
3-methylheptane
HMDB
Manual Xrefs
Databases
3-Methylheptane
Wikipedia
HMDB0031583
HMDB
View more database links
Registry Number
Type
Source
589-81-1
CAS Registry Number
KEGG COMPOUND
Citations
Types
Sources
17314143
PubMed citation
Europe PMC
24421258
PubMed citation
Europe PMC