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> Main
CHEBI:41214 - 4-nitrobenzyl alcohol
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ChEBI Ontology
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ChEBI Name
4-nitrobenzyl alcohol
ChEBI ID
CHEBI:41214
Definition
A member of the class of benzyl alcohols that is benzyl alcohol substituted at the
para
-position by a nitro group.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C7H7NO3
Net Charge
0
Average Mass
153.13540
Monoisotopic Mass
153.04259
InChI
InChI=1S/C7H7NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H2
InChIKey
JKTYGPATCNUWKN-UHFFFAOYSA-N
SMILES
OCc1ccc(cc1)[N+]([O-])=O
Roles Classification
Biological Role
(s):
xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
4-nitrobenzyl alcohol (
CHEBI:41214
)
has role
xenobiotic metabolite (
CHEBI:76206
)
4-nitrobenzyl alcohol (
CHEBI:41214
)
is a
C
-nitro compound (
CHEBI:35716
)
4-nitrobenzyl alcohol (
CHEBI:41214
)
is a
benzyl alcohols (
CHEBI:22743
)
IUPAC Name
(4-nitrophenyl)methanol
Synonyms
Sources
4-Nitrobenzenemethanol
ChemIDplus
4-nitrobenzyl alcohol
UniProt
p
-(hydroxymethyl)nitrobenzene
ChemIDplus
p
-nitrobenzyl alcohol
ChemIDplus
PARANITROBENZYL ALCOHOL
PDBeChem
Manual Xrefs
Databases
BPN
PDBeChem
CPD-702
MetaCyc
View more database links
Registry Numbers
Types
Sources
1424026
Beilstein Registry Number
Beilstein
1424026
Reaxys Registry Number
Reaxys
619-73-8
CAS Registry Number
NIST Chemistry WebBook
619-73-8
CAS Registry Number
ChemIDplus
Citations
Types
Sources
1650428
PubMed citation
Europe PMC
22081126
PubMed citation
Europe PMC
6141911
PubMed citation
Europe PMC
9223277
PubMed citation
Europe PMC
Last Modified
27 March 2020