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IPA : Summary
Code ![](/pdbe/static/images/help.png)
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IPA
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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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ISOPROPYL ALCOHOL
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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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C3 H8 O
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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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60.095 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 |
11.02 |
OC(C)C |
SMILES
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CACTVS |
3.352 |
CC(C)O |
SMILES
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OpenEye OEToolkits |
1.7.0 |
CC(C)O |
Canonical SMILES
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CACTVS |
3.352 |
CC(C)O |
Canonical SMILES
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OpenEye OEToolkits |
1.7.0 |
CC(C)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | KFZMGEQAYNKOFK-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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12 (4 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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1999-07-08
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Last modified at ![](/pdbe/static/images/help.png)
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2021-03-01
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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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