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:139218 - secondary nitroalkane
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
secondary nitroalkane
ChEBI ID
CHEBI:139218
Definition
A nitroalkane in which the nitro group, -NO
2
, is attached to a saturated carbon atom which has two other carbon atoms attached to it. Major microspecies at pH 7.3.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Anne Morgat
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
CHNO2R2
Net Charge
0
Average Mass (excl. R groups)
59.024
Monoisotopic Mass (excl. R groups)
59.00073
SMILES
C([N+]([O-])=O)(*)*
ChEBI Ontology
Outgoing
secondary nitroalkane (
CHEBI:139218
)
is a
nitroalkane (
CHEBI:7587
)
Incoming
2-nitropropane (
CHEBI:16037
)
is a
secondary nitroalkane (
CHEBI:139218
)
Synonym
Source
a secondary nitroalkane
UniProt
Citations
Types
Sources
15609931
PubMed citation
Europe PMC
1719412
PubMed citation
Europe PMC
22543734
PubMed citation
Europe PMC
7762004
PubMed citation
Europe PMC
9437534
PubMed citation
Europe PMC
Last Modified
13 December 2017