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TFB : Summary
Code ![](/pdbe/static/images/help.png)
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TFB
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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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TETRAHYDROFURAN-2-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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C5 H8 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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116.115 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 |
10.04 |
O=C(O)C1OCCC1 |
SMILES
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CACTVS |
3.341 |
OC(=O)[CH]1CCCO1 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
C1CC(OC1)C(=O)O |
Canonical SMILES
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CACTVS |
3.341 |
OC(=O)[C@@H]1CCCO1 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C1C[C@H](OC1)C(=O)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C5H8O3/c6-5(7)4-2-1-3-8-4/h4H,1-3H2,(H,6,7)/t4-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | UJJLJRQIPMGXEZ-BYPYZUCNSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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16 (8 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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2001-11-09
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Last modified at ![](/pdbe/static/images/help.png)
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2011-06-04
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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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