![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
5HN : Summary
Code ![](/pdbe/static/images/help.png)
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5HN
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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5-hydroxypyridine-3-carboxylic acid
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C6 H5 N O3
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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139.109 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=C(O)c1cncc(O)c1 |
SMILES
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CACTVS |
3.370 |
Oc1cncc(c1)C(O)=O |
SMILES
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OpenEye OEToolkits |
1.7.6 |
c1c(cncc1O)C(=O)O |
Canonical SMILES
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CACTVS |
3.370 |
Oc1cncc(c1)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
c1c(cncc1O)C(=O)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C6H5NO3/c8-5-1-4(6(9)10)2-7-3-5/h1-3,8H,(H,9,10) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | ATTDCVLRGFEHEO-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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15 (10 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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NON-POLYMER
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2012-10-01
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Last modified at ![](/pdbe/static/images/help.png)
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2020-06-17
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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5HN : Atoms of Molecule
Total Number of Atoms: 15
Record |
Atom Name |
Symbol |
PDB Name |
Stereochemistry |
Is Aromatic |
Is Leaving Atom |
Charge |
X-Coordinate |
Y-Coordinate |
Z-Coordinate |
1 |
OAA |
O |
OAA |
N |
N |
N |
0 |
2.919 |
-0.612 |
-0.017 |
2 |
CAH |
C |
CAH |
N |
N |
N |
0 |
1.949 |
0.322 |
-0.001 |
3 |
OAB |
O |
OAB |
N |
N |
N |
0 |
2.24 |
1.501 |
0.011 |
4 |
CAJ |
C |
CAJ |
N |
Y |
N |
0 |
0.529 |
-0.088 |
0.004 |
5 |
CAF |
C |
CAF |
N |
Y |
N |
0 |
-0.489 |
0.873 |
0.015 |
6 |
CAI |
C |
CAI |
N |
Y |
N |
0 |
-1.806 |
0.435 |
0.019 |
7 |
OAC |
O |
OAC |
N |
N |
N |
0 |
-2.829 |
1.33 |
0.029 |
8 |
CAD |
C |
CAD |
N |
Y |
N |
0 |
-2.066 |
-0.929 |
0.012 |
9 |
NAG |
N |
NAG |
N |
Y |
N |
0 |
-1.083 |
-1.808 |
0.001 |
10 |
CAE |
C |
CAE |
N |
Y |
N |
0 |
0.182 |
-1.44 |
-0.009 |
11 |
H1 |
H |
H1 |
N |
N |
N |
0 |
3.833 |
-0.295 |
-0.019 |
12 |
H2 |
H |
H2 |
N |
N |
N |
0 |
-0.255 |
1.928 |
0.021 |
13 |
H3 |
H |
H3 |
N |
N |
N |
0 |
-3.129 |
1.594 |
-0.851 |
14 |
H4 |
H |
H4 |
N |
N |
N |
0 |
-3.089 |
-1.276 |
0.015 |
15 |
H5 |
H |
H5 |
N |
N |
N |
0 |
0.957 |
-2.191 |
-0.022 |
5HN : Chemical Bonds
Total Number of Bonds: 15
Record |
First Atom |
Second Atom |
First Element |
Second Element |
Bond Order Type |
Bond Length |
Bond Stereochemistry |
Is Aromatic |
1 |
OAB |
CAH |
O |
C |
doub |
1.21 |
N |
N |
2 |
OAA |
CAH |
O |
C |
sing |
1.35 |
N |
N |
3 |
CAH |
CAJ |
C |
C |
sing |
1.48 |
N |
N |
4 |
CAJ |
CAE |
C |
C |
doub |
1.4 |
N |
Y |
5 |
CAJ |
CAF |
C |
C |
sing |
1.4 |
N |
Y |
6 |
CAE |
NAG |
C |
N |
sing |
1.32 |
N |
Y |
7 |
CAF |
CAI |
C |
C |
doub |
1.39 |
N |
Y |
8 |
NAG |
CAD |
N |
C |
doub |
1.32 |
N |
Y |
9 |
CAI |
CAD |
C |
C |
sing |
1.39 |
N |
Y |
10 |
CAI |
OAC |
C |
O |
sing |
1.36 |
N |
N |
11 |
OAA |
H1 |
O |
H |
sing |
0.97 |
N |
N |
12 |
CAF |
H2 |
C |
H |
sing |
1.08 |
N |
N |
13 |
OAC |
H3 |
O |
H |
sing |
0.97 |
N |
N |
14 |
CAD |
H4 |
C |
H |
sing |
1.08 |
N |
N |
15 |
CAE |
H5 |
C |
H |
sing |
1.08 |
N |
N |
5HN : Used in PDB Entries
Total Number of PDB Entries: 4
Ligand Code |
PDB Entry ID |
Type |
Total |
Distinct |
5HN |
4h2q ![Open in New Window](/pdbe-srv/pdbechem/images/newwin.png?_debugResources=y&n=1724272297109) |
Bound ligand
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1 |
1 |
5HN |
4h2r ![Open in New Window](/pdbe-srv/pdbechem/images/newwin.png?_debugResources=y&n=1724272297109) |
Bound ligand
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1 |
1 |
5HN |
5hxi ![Open in New Window](/pdbe-srv/pdbechem/images/newwin.png?_debugResources=y&n=1724272297109) |
Bound ligand
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1 |
1 |
5HN |
5rst ![Open in New Window](/pdbe-srv/pdbechem/images/newwin.png?_debugResources=y&n=1724272297109) |
Bound ligand
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1 |
1 |
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