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:32273 - Tyropanoate sodium
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
Tyropanoate sodium
ChEBI ID
CHEBI:32273
Stars
This entity has been manually annotated by a third party.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formulae
C15H17I3NNaO3
C15H17I3NO3.Na
Net Charge
0
Average Mass
663.004
Monoisotopic Mass
662.82402
InChI
InChI=1S/C15H18I3NO3.Na/c1-
3-
5-
12(20)
19-
14-
11(17)
7-
10(16)
9(13(14)
18)
6-
8(4-
2)
15(21)
22;/h7-
8H,3-
6H2,1-
2H3,(H,19,20)
(H,21,22)
;/q;+1/p-
1
InChIKey
KTVKGXZZBQCBGD-UHFFFAOYSA-M
SMILES
[Na+].N(C=1C(=C(C(=CC1I)I)CC(C(=O)[O-])CC)I)C(=O)CCC
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Tyropanoate sodium (
CHEBI:32273
)
is a
benzenes (
CHEBI:22712
)
Tyropanoate sodium (
CHEBI:32273
)
is a
monocarboxylic acid (
CHEBI:25384
)
Synonym
Source
Tyropanoate sodium
KEGG COMPOUND
Manual Xref
Database
D01884
KEGG DRUG
View more database links
Registry Number
Type
Source
7246-21-1
CAS Registry Number
KEGG COMPOUND
Last Modified
06 March 2017