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LNW : Summary
Code ![](/pdbe/static/images/help.png)
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LNW
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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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2,2'-biphenyl-3,5-diyldiacetic 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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C16 H14 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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270.28 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 |
C(C(O)=O)c1cc(CC(=O)O)cc(c1)c2ccccc2 |
SMILES
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CACTVS |
3.385 |
OC(=O)Cc1cc(CC(O)=O)cc(c1)c2ccccc2 |
SMILES
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OpenEye OEToolkits |
2.0.4 |
c1ccc(cc1)c2cc(cc(c2)CC(=O)O)CC(=O)O |
Canonical SMILES
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CACTVS |
3.385 |
OC(=O)Cc1cc(CC(O)=O)cc(c1)c2ccccc2 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.4 |
c1ccc(cc1)c2cc(cc(c2)CC(=O)O)CC(=O)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C16H14O4/c17-15(18)9-11-6-12(10-16(19)20)8-14(7-11)13-4-2-1-3-5-13/h1-8H,9-10H2,(H,17,18)(H,19,20) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | VAGQJIBPPQRDCK-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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34 (20 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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2016-01-21
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Last modified at ![](/pdbe/static/images/help.png)
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2016-03-25
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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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