![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
OH1 : Summary
Code ![](/pdbe/static/images/help.png)
|
OH1
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}benzamide
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C15 H19 N3 O2
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
273.33 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
12.01 |
C(NC(c1ccccc1)=O)CCCc2ncc(CO)n2 |
SMILES
|
CACTVS |
3.385 |
OCc1c[nH]c(CCCCNC(=O)c2ccccc2)n1 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1ccc(cc1)C(=O)NCCCCc2[nH]cc(n2)CO |
Canonical SMILES
|
CACTVS |
3.385 |
OCc1c[nH]c(CCCCNC(=O)c2ccccc2)n1 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1ccc(cc1)C(=O)NCCCCc2[nH]cc(n2)CO |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C15H19N3O2/c19-11-13-10-17-14(18-13)8-4-5-9-16-15(20)12-6-2-1-3-7-12/h1-3,6-7,10,19H,4-5,8-9,11H2,(H,16,20)(H,17,18) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | JCUWYBMNDMMIAC-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
39 (20 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)
|
2019-06-24
|
Last modified at ![](/pdbe/static/images/help.png)
|
2019-12-06
|
Status ![](/pdbe/static/images/help.png)
|
Released
|
Obsoleted ![](/pdbe/static/images/help.png)
|
Not Assigned
|
|