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:37387 - H
3
HP-DO3A
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
H
3
HP-DO3A
ChEBI ID
CHEBI:37387
ChEBI ASCII Name
H3HP-DO3A
Definition
A tricarboxylic acid that consists of 1,4,7,10-tetraazacyclododecane bearing three carboxymethyl substituents at positions 1, 4 and 7 as well as a 2-hydroxypropyl group at position 10.
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
C17H32N4O7
Net Charge
0
Average Mass
404.45874
Monoisotopic Mass
404.22710
InChI
InChI=1S/C17H32N4O7/c1-
14(22)
10-
18-
2-
4-
19(11-
15(23)
24)
6-
8-
21(13-
17(27)
28)
9-
7-
20(5-
3-
18)
12-
16(25)
26/h14,22H,2-
13H2,1H3,(H,23,24)
(H,25,26)
(H,27,28)
InChIKey
IQUHNCOJRJBMSU-UHFFFAOYSA-N
SMILES
CC(O)CN1CCN(CCN(CCN(CC1)CC(O)=O)CC(O)=O)CC(O)=O
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
H
3
HP-DO3A (
CHEBI:37387
)
has parent hydride
1,4,7,10-tetraazacyclododecane (
CHEBI:37391
)
H
3
HP-DO3A (
CHEBI:37387
)
is a
tricarboxylic acid (
CHEBI:27093
)
H
3
HP-DO3A (
CHEBI:37387
)
is conjugate acid of
HP-DO3A(3−) (
CHEBI:37388
)
Incoming
H
3
[(2
R
)-HP-DO3A] (
CHEBI:41974
)
is a
H
3
HP-DO3A (
CHEBI:37387
)
HP-DO3A(3−) (
CHEBI:37388
)
is conjugate base of
H
3
HP-DO3A (
CHEBI:37387
)
IUPAC Name
2,2',2''-[10-(2-hydroxypropyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl]triacetic acid
INN
Source
calteridol
ChemIDplus
Synonym
Source
10-(2-hydroxypropyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triacetic acid
ChEBI
Registry Numbers
Types
Sources
132722-73-7
CAS Registry Number
ChemIDplus
664973
Gmelin Registry Number
Gmelin
7605409
Reaxys Registry Number
Reaxys
7605409
Beilstein Registry Number
Beilstein
Last Modified
10 January 2012