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6OC : Summary
Code ![](/pdbe/static/images/help.png)
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6OC
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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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(8R,9Z,12Z)-8-hydroxy-6-oxooctadeca-9,12-dienoic 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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C18 H30 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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310.428 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)CCCCC(=O)CC(O)\C=C/C\C=C/CCCCC |
SMILES
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CACTVS |
3.341 |
CCCCCC=CCC=C[CH](O)CC(=O)CCCCC(O)=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CCCCCC=CCC=CC(CC(=O)CCCCC(=O)O)O |
Canonical SMILES
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CACTVS |
3.341 |
CCCCC\C=C/C/C=C\[C@H](O)CC(=O)CCCCC(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CCCCC\C=C/C\C=C/[C@@H](CC(=O)CCCCC(=O)O)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C18H30O4/c1-2-3-4-5-6-7-8-9-12-16(19)15-17(20)13-10-11-14-18(21)22/h6-7,9,12,16,19H,2-5,8,10-11,13-15H2,1H3,(H,21,22)/b7-6-,12-9-/t16-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | MLHUENSFQCPBQH-ZBKJIUGYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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52 (22 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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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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2008-06-02
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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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