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:85645 -
p
-nitrophenyl palmitate
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
p
-nitrophenyl palmitate
ChEBI ID
CHEBI:85645
ChEBI ASCII Name
p-nitrophenyl palmitate
Definition
A palmitate ester obtained by condensation of the carboxy group of palmitic acid with the phenolic hydroxy group of
p
-nitrophenol.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Mais Ammari
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
C22H35NO4
Net Charge
0
Average Mass
377.51760
Monoisotopic Mass
377.25661
InChI
InChI=1S/C22H35NO4/c1-
2-
3-
4-
5-
6-
7-
8-
9-
10-
11-
12-
13-
14-
15-
22(24)
27-
21-
18-
16-
20(17-
19-
21)
23(25)
26/h16-
19H,2-
15H2,1H3
InChIKey
LVZSQWIWCANHPF-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCCCCC(=O)Oc1ccc(cc1)[N+]([O-])=O
ChEBI Ontology
Outgoing
p
-nitrophenyl palmitate (
CHEBI:85645
)
has functional parent
4-nitrophenol (
CHEBI:16836
)
p
-nitrophenyl palmitate (
CHEBI:85645
)
is a
C
-nitro compound (
CHEBI:35716
)
p
-nitrophenyl palmitate (
CHEBI:85645
)
is a
hexadecanoate ester (
CHEBI:25835
)
IUPAC Name
4-nitrophenyl hexadecanoate
Synonyms
Sources
(4-nitrophenyl) hexadecanoate
PDBeChem
4-Nitrophenyl palmitate
ChemIDplus
Hexadecanoic acid 4-nitrophenyl ester
SUBMITTER
p
-nitrophenyl hexadecanoate
ChEBI
para-nitrophenyl palmitate
SUBMITTER
paranitrophenyl palmitate
PDBeChem
Manual Xref
Database
PNR
PDBeChem
View more database links
Registry Numbers
Types
Sources
1492-30-4
CAS Registry Number
NIST Chemistry WebBook
1492-30-4
CAS Registry Number
ChemIDplus
1891754
Reaxys Registry Number
Reaxys
Citations
Types
Sources
24879090
PubMed citation
Europe PMC
25388475
PubMed citation
Europe PMC
25643732
PubMed citation
Europe PMC
25765304
PubMed citation
Europe PMC
Last Modified
08 May 2015