![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
NCV : Summary
Code ![](/pdbe/static/images/help.png)
|
NCV
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
N-Methyl-6-(1,3-dihydroxy-isobutyl)thymine
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C10 H16 N2 O4
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
228.245 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
O=C1C(=C(N(C(=O)N1)C)CC(CO)CO)C |
SMILES
|
CACTVS |
3.341 |
CN1C(=O)NC(=O)C(=C1CC(CO)CO)C |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
CC1=C(N(C(=O)NC1=O)C)CC(CO)CO |
Canonical SMILES
|
CACTVS |
3.341 |
CN1C(=O)NC(=O)C(=C1CC(CO)CO)C |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
CC1=C(N(C(=O)NC1=O)C)CC(CO)CO |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C10H16N2O4/c1-6-8(3-7(4-13)5-14)12(2)10(16)11-9(6)15/h7,13-14H,3-5H2,1-2H3,(H,11,15,16) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | FMPCUJIPAJPVKR-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
32 (16 without Hydrogen)
|
Polymer type ![](/pdbe/static/images/help.png)
|
Bound ligand
|
Type description ![](/pdbe/static/images/help.png)
|
NON-POLYMER
|
Type code ![](/pdbe/static/images/help.png)
|
HETAIN
|
Is modified ![](/pdbe/static/images/help.png)
|
No
|
Standard parent ![](/pdbe/static/images/help.png)
|
Not Assigned
|
Defined at ![](/pdbe/static/images/help.png)
|
2008-10-29
|
Last modified at ![](/pdbe/static/images/help.png)
|
2020-05-27
|
Status ![](/pdbe/static/images/help.png)
|
Released
|
Obsoleted ![](/pdbe/static/images/help.png)
|
Not Assigned
|
|