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LPA : Summary
Code ![](/pdbe/static/images/help.png)
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LPA
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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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LIPOIC ACID
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Synonyms ![](/pdbe/static/images/help.png)
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5-[(3R)-1,2-dithiolan-3-yl]pentanoic 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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C8 H14 O2 S2
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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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206.326 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 |
O=C(O)CCCCC1SSCC1 |
SMILES
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CACTVS |
3.370 |
OC(=O)CCCC[CH]1CCSS1 |
SMILES
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OpenEye OEToolkits |
1.7.2 |
C1CSSC1CCCCC(=O)O |
Canonical SMILES
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CACTVS |
3.370 |
OC(=O)CCCC[C@@H]1CCSS1 |
Canonical SMILES
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OpenEye OEToolkits |
1.7.2 |
C1CSS[C@@H]1CCCCC(=O)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/t7-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | AGBQKNBQESQNJD-SSDOTTSWSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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26 (12 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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2020-06-17
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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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