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FE0 : Summary
Code ![](/pdbe/static/images/help.png)
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FE0
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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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(1S,2S,3R,4R)-3-(hydroxymethyl)cyclopentane-1,2,4-triol
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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 H12 O4
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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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148.157 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
OC[CH]1[CH](O)C[CH](O)[CH]1O |
SMILES
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OpenEye OEToolkits |
2.0.7 |
C1C(C(C(C1O)O)CO)O |
Canonical SMILES
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CACTVS |
3.385 |
OC[C@@H]1[C@H](O)C[C@H](O)[C@H]1O |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
C1[C@H]([C@H]([C@@H]([C@H]1O)O)CO)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C6H12O4/c7-2-3-4(8)1-5(9)6(3)10/h3-10H,1-2H2/t3-,4-,5+,6+/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | KWAKQXVHPAXYRX-ZXXMMSQZSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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22 (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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2020-05-03
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Last modified at ![](/pdbe/static/images/help.png)
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2021-01-22
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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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