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:44939 -
p
-nitrobenzyl glutaryl glycinic acid
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
p
-nitrobenzyl glutaryl glycinic acid
ChEBI ID
CHEBI:44939
ChEBI ASCII Name
p-nitrobenzyl glutaryl glycinic acid
Definition
A glycine derivative in which a glycine core carries an
N
-{5-[(4-nitrobenzyl)amino]-5-oxopentanoyl} substituent.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
more structures >>
Molfile
Formula
C14H17N3O6
Net Charge
0
Average Mass
323.30130
Monoisotopic Mass
323.11174
InChI
InChI=1S/C14H17N3O6/c18-
12(2-
1-
3-
13(19)
16-
9-
14(20)
21)
15-
8-
10-
4-
6-
11(7-
5-
10)
17(22)
23/h4-
7H,1-
3,8-
9H2,(H,15,18)
(H,16,19)
(H,20,21)
InChIKey
UCFVFUIGNWHAJJ-UHFFFAOYSA-N
SMILES
OC(=O)CNC(=O)CCCC(=O)NCc1ccc(cc1)[N+]([O-])=O
Roles Classification
Biological Role
(s):
epitope
The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
p
-nitrobenzyl glutaryl glycinic acid (
CHEBI:44939
)
has functional parent
glutaric acid (
CHEBI:17859
)
p
-nitrobenzyl glutaryl glycinic acid (
CHEBI:44939
)
has role
epitope (
CHEBI:53000
)
p
-nitrobenzyl glutaryl glycinic acid (
CHEBI:44939
)
is a
C
-nitro compound (
CHEBI:35716
)
p
-nitrobenzyl glutaryl glycinic acid (
CHEBI:44939
)
is a
glycine derivative (
CHEBI:24373
)
IUPAC Name
N
-{5-[(4-nitrobenzyl)amino]-5-oxopentanoyl}glycine
Synonym
Source
2-[[5-[(4-nitrophenyl)methylamino]-5-oxopentanoyl]amino]ethanoic acid
PDB
Manual Xrefs
Databases
1YEF
PDB
DB08410
DrugBank
PNC
PDBeChem
View more database links
Citation
Type
Source
9223277
PubMed citation
Europe PMC
Last Modified
25 January 2017