CHEBI:16037 - 2-nitropropane

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-nitropropane
ChEBI ID CHEBI:16037
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:44443, CHEBI:1226, CHEBI:11632, CHEBI:19727
Supplier Information
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Formula C3H7NO2
Net Charge 0
Average Mass 89.09322
Monoisotopic Mass 89.048
InChI InChI=1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3
InChIKey FGLBSLMDCBOPQK-UHFFFAOYSA-N
SMILES CC(C)[N+]([O-])=O
Roles Classification
Biological Role(s): xenobiotic
A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
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ChEBI Ontology
Outgoing 2-nitropropane (CHEBI:16037) has role xenobiotic (CHEBI:35703)
2-nitropropane (CHEBI:16037) is a C-nitro compound (CHEBI:35716)
IUPAC Name
2-nitropropane
Synonym Source
2-Nitropropane KEGG COMPOUND
Database Links Databases
C02116 KEGG COMPOUND
c0555 UM-BBD
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Registry Number Type Source
79-46-9 CAS Registry Number KEGG COMPOUND
Last Modified
12 July 2012