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:138493 - 3-nitro-2-pentanol
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
3-nitro-2-pentanol
ChEBI ID
CHEBI:138493
Stars
This entity has been manually annotated by a third party.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C5H11NO3
Net Charge
0
Average Mass
133.146
Monoisotopic Mass
133.07389
InChI
InChI=1S/C5H11NO3/c1-3-5(4(2)7)6(8)9/h4-5,7H,3H2,1-2H3
InChIKey
CHOTTWGZEKCPHA-UHFFFAOYSA-N
SMILES
OC(C([N+]([O-])=O)CC)C
ChEBI Ontology
Outgoing
3-nitro-2-pentanol (
CHEBI:138493
)
is a
C
-nitro compound (
CHEBI:35716
)
Manual Xref
Database
83958
ChemSpider
View more database links
Last Modified
25 September 2017