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> Main
CHEBI:143849 - 2,3,3-trimethylpentane
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ChEBI Name
2,3,3-trimethylpentane
ChEBI ID
CHEBI:143849
Definition
A branched alkane that is pentane carrying one methyl group at positions 2, and two methyl groups at position 3.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Mark Williams
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Formula
C8H18
Net Charge
0
Average Mass
114.232
Monoisotopic Mass
114.14085
InChI
InChI=1S/C8H18/c1-6-8(4,5)7(2)3/h7H,6H2,1-5H3
InChIKey
OKVWYBALHQFVFP-UHFFFAOYSA-N
SMILES
CC(C(CC)(C)C)C
Metabolite of Species
Details
Bacillus megaterium
(NCBI:txid1404)
of strain Mes11 See:
PubMed
Pseudomonas fluorescens
(NCBI:txid294)
of strain SG-1 See:
PubMed
Homo sapiens
(NCBI:txid9606)
Found in saliva
(UBERON:0001836)
. See:
PubMed
Bos taurus
(NCBI:txid9913)
Detected at the headspace of the longissimus dorsi muscle of beef. See:
DOI
Roles Classification
Biological Role
(s):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
mammalian metabolite
Any animal metabolite produced during a metabolic reaction in mammals.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
2,3,3-trimethylpentane (
CHEBI:143849
)
has role
bacterial metabolite (
CHEBI:76969
)
2,3,3-trimethylpentane (
CHEBI:143849
)
has role
human metabolite (
CHEBI:77746
)
2,3,3-trimethylpentane (
CHEBI:143849
)
has role
mammalian metabolite (
CHEBI:75768
)
2,3,3-trimethylpentane (
CHEBI:143849
)
is a
alkane (
CHEBI:18310
)
2,3,3-trimethylpentane (
CHEBI:143849
)
is a
volatile organic compound (
CHEBI:134179
)
IUPAC Name
2,3,3-trimethylpentane
Manual Xrefs
Databases
10742
ChemSpider
2,3,3-Trimethylpentane
Wikipedia
View more database links
Registry Numbers
Types
Sources
560-21-4
CAS Registry Number
ChemIDplus
560-21-4
CAS Registry Number
NIST Chemistry WebBook
Citations
Types
Sources
19025629
PubMed citation
Europe PMC
30531924
PubMed citation
Europe PMC
30671028
PubMed citation
Europe PMC
7829686
PubMed citation
Europe PMC
IND44750474
Agricola citation
Europe PMC
Last Modified
04 June 2019