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:77520 - 3-methyl-2-pentanol
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
3-methyl-2-pentanol
ChEBI ID
CHEBI:77520
Definition
A secondary alcohol that is 3-methylpentane substituted at position 2 by a hydroxy group.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Jen Hammock
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
C6H14O
Net Charge
0
Average Mass
102.17480
Monoisotopic Mass
102.10447
InChI
InChI=1S/C6H14O/c1-4-5(2)6(3)7/h5-7H,4H2,1-3H3
InChIKey
ZXNBBWHRUSXUFZ-UHFFFAOYSA-N
SMILES
CCC(C)C(C)O
Roles Classification
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
Application
(s):
biomarker
A substance used as an indicator of a biological state.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
3-methyl-2-pentanol (
CHEBI:77520
)
has role
biomarker (
CHEBI:59163
)
3-methyl-2-pentanol (
CHEBI:77520
)
has role
human xenobiotic metabolite (
CHEBI:76967
)
3-methyl-2-pentanol (
CHEBI:77520
)
has role
plant metabolite (
CHEBI:76924
)
3-methyl-2-pentanol (
CHEBI:77520
)
is a
secondary alcohol (
CHEBI:35681
)
IUPAC Name
3-methylpentan-2-ol
Synonyms
Sources
2-hydroxy-3-methylpentane
ChEBI
3-Methyl-4-pentanol
NIST Chemistry WebBook
Manual Xrefs
Databases
3-Methyl-2-pentanol
Wikipedia
EP1531781
Patent
US2007128139
Patent
WO2004006875
Patent
View more database links
Registry Numbers
Types
Sources
1697047
Reaxys Registry Number
Reaxys
565-60-6
CAS Registry Number
NIST Chemistry WebBook
565-60-6
CAS Registry Number
ChemIDplus
Citations
Types
Sources
6277548
PubMed citation
Europe PMC
6277549
PubMed citation
Europe PMC
7216504
PubMed citation
Europe PMC
7470400
PubMed citation
Europe PMC
8535496
PubMed citation
Europe PMC
Last Modified
12 March 2014