![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
3HM : Summary
Code ![](/pdbe/static/images/help.png)
|
3HM
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
5-hydroxy-6-methylpyridine-3-carboxylic acid
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C7 H7 N O3
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
153.135 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
O=C(O)c1cnc(c(O)c1)C |
SMILES
|
CACTVS |
3.341 |
Cc1ncc(cc1O)C(O)=O |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
Cc1c(cc(cn1)C(=O)O)O |
Canonical SMILES
|
CACTVS |
3.341 |
Cc1ncc(cc1O)C(O)=O |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
Cc1c(cc(cn1)C(=O)O)O |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C7H7NO3/c1-4-6(9)2-5(3-8-4)7(10)11/h2-3,9H,1H3,(H,10,11) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | NYEFWJFPBFRRKU-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
18 (11 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)
|
2009-03-25
|
Last modified at ![](/pdbe/static/images/help.png)
|
2020-06-17
|
Status ![](/pdbe/static/images/help.png)
|
Released
|
Obsoleted ![](/pdbe/static/images/help.png)
|
Not Assigned
|
|