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FUM : Summary
Code 
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FUM
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One-letter code 
|
X
|
Molecule name 
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FUMARIC ACID
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Systematic names 
|
|
Formula 
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C4 H4 O4
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Formal charge 
|
0
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Molecular weight 
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116.072 Da
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SMILES 
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
12.01 |
O=C(O)\C=C\C(=O)O |
SMILES
|
CACTVS |
3.370 |
OC(=O)C=CC(O)=O |
SMILES
|
OpenEye OEToolkits |
1.7.6 |
C(=CC(=O)O)C(=O)O |
Canonical SMILES
|
CACTVS |
3.370 |
OC(=O)\C=C\C(O)=O |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.6 |
C(=C/C(=O)O)\C(=O)O |
|
IUPAC InChI  | InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+ |
IUPAC InChI key  | VZCYOOQTPOCHFL-OWOJBTEDSA-N |
Is part of  |
08L
|
|
wwPDB Information |
Atom count 
|
12 (8 without Hydrogen)
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Polymer type 
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Bound ligand
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Type description 
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NON-POLYMER
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Type code 
|
HETAIN
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Is modified 
|
No
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Standard parent 
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Not Assigned
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Defined at 
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1999-07-08
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Last modified at 
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2012-09-11
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Status 
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Released
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Obsoleted 
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Not Assigned
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