Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:143848 - 3-methylhexane
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
3-methylhexane
ChEBI ID
CHEBI:143848
Definition
An alkane that is hexane substituted by a methyl group at position 3.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Mark Williams
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Wikipedia
License
Read full article at Wikipedia
Formula
C7H16
Net Charge
0
Average Mass
100.205
Monoisotopic Mass
100.12520
InChI
InChI=1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3
InChIKey
VLJXXKKOSFGPHI-UHFFFAOYSA-N
SMILES
C(CCC)(CC)C
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
Found in bile
(BTO:0000121)
. 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-methylhexane (
CHEBI:143848
)
has role
human metabolite (
CHEBI:77746
)
3-methylhexane (
CHEBI:143848
)
is a
alkane (
CHEBI:18310
)
3-methylhexane (
CHEBI:143848
)
is a
volatile organic compound (
CHEBI:134179
)
IUPAC Name
3-methylhexane
Synonym
Source
2-ethylpentane
ChemIDplus
Manual Xrefs
Databases
11023
ChemSpider
3-Methylhexane
Wikipedia
C00050708
KNApSAcK
View more database links
Registry Numbers
Types
Sources
589-34-4
CAS Registry Number
NIST Chemistry WebBook
589-34-4
CAS Registry Number
ChemIDplus
Citations
Types
Sources
25500329
PubMed citation
Europe PMC
25523187
PubMed citation
Europe PMC
26646671
PubMed citation
Europe PMC
30912423
PubMed citation
Europe PMC
IND605432606
Agricola citation
Europe PMC
Last Modified
06 June 2019