|
211 : Summary
Code
|
211
|
One-letter code
|
X
|
Molecule name
|
2,2',2''-NITRILOTRIETHANOL
|
Systematic names
|
|
Formula
|
C6 H15 N O3
|
Formal charge
|
0
|
Molecular weight
|
149.188 Da
|
SMILES
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
OCCN(CCO)CCO |
SMILES
|
CACTVS |
3.341 |
OCCN(CCO)CCO |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
C(CO)N(CCO)CCO |
Canonical SMILES
|
CACTVS |
3.341 |
OCCN(CCO)CCO |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
C(CO)N(CCO)CCO |
|
IUPAC InChI | InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2 |
IUPAC InChI key | GSEJCLTVZPLZKY-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count
|
25 (10 without Hydrogen)
|
Polymer type
|
Bound ligand
|
Type description
|
NON-POLYMER
|
Type code
|
HETAIN
|
Is modified
|
No
|
Standard parent
|
Not Assigned
|
Defined at
|
2006-07-14
|
Last modified at
|
2011-06-04
|
Status
|
Released
|
Obsoleted
|
Not Assigned
|
|