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:60888 - BAPTA
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
BAPTA
ChEBI ID
CHEBI:60888
Definition
A polyamino carboxylic acid in which bis(carboxymethyl)nitrilo groups are bonded to C-2 and C-2' of 1,1'-[ethane-1,2-diylbis(oxy)]dibenzene.
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
Formula
C22H24N2O10
Net Charge
0
Average Mass
476.43340
Monoisotopic Mass
476.14309
InChI
InChI=1S/C22H24N2O10/c25-
19(26)
11-
23(12-
20(27)
28)
15-
5-
1-
3-
7-
17(15)
33-
9-
10-
34-
18-
8-
4-
2-
6-
16(18)
24(13-
21(29)
30)
14-
22(31)
32/h1-
8H,9-
14H2,(H,25,26)
(H,27,28)
(H,29,30)
(H,31,32)
InChIKey
FTEDXVNDVHYDQW-UHFFFAOYSA-N
SMILES
OC(=O)CN(CC(O)=O)c1ccccc1OCCOc1ccccc1N(CC(O)=O)CC(O)=O
Roles Classification
Chemical Role
(s):
chelator
A ligand with two or more separate binding sites that can bind to a single metallic central atom, forming a chelate.
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
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
BAPTA (
CHEBI:60888
)
has role
chelator (
CHEBI:38161
)
BAPTA (
CHEBI:60888
)
is a
polyamino carboxylic acid (
CHEBI:60892
)
BAPTA (
CHEBI:60888
)
is a
tetracarboxylic acid (
CHEBI:35742
)
Incoming
5,5'-dibromo-BAPTA (
CHEBI:60890
)
has functional parent
BAPTA (
CHEBI:60888
)
5,5'-dimethyl-BAPTA (
CHEBI:60889
)
has functional parent
BAPTA (
CHEBI:60888
)
IUPAC Name
2,2',2'',2'''-[ethane-1,2-diylbis(oxy-2,1-phenylenenitrilo)]tetraacetic acid
Synonyms
Sources
1,2-Bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetic acid
ChemIDplus
1,2-Bis(o-aminophenoxy)ethane-N,N,N',N'-tetraacetic acid
ChemIDplus
Bapeta
ChemIDplus
Registry Numbers
Types
Sources
5192406
Reaxys Registry Number
Reaxys
85233-19-8
CAS Registry Number
ChemIDplus
Last Modified
05 January 2011