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LNG : Summary
Code
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LNG
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One-letter code
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X
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Molecule name
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Delta-3isotetradecenoic acid
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Systematic names
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Formula
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C14 H26 O2
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Formal charge
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0
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Molecular weight
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226.355 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
11.02 |
O=C(O)C\C=C/CCCCCCCC(C)C |
SMILES
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CACTVS |
3.352 |
CC(C)CCCCCCCC=CCC(O)=O |
SMILES
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OpenEye OEToolkits |
1.7.0 |
CC(C)CCCCCCCC=CCC(=O)O |
Canonical SMILES
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CACTVS |
3.352 |
CC(C)CCCCCCC\C=C/CC(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.7.0 |
CC(C)CCCCCCC/C=C\CC(=O)O |
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IUPAC InChI | InChI=1S/C14H26O2/c1-13(2)11-9-7-5-3-4-6-8-10-12-14(15)16/h8,10,13H,3-7,9,11-12H2,1-2H3,(H,15,16)/b10-8- |
IUPAC InChI key | CPJZLQGGCFWOAA-NTMALXAHSA-N |
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wwPDB Information |
Atom count
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42 (16 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
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2004-07-16
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Last modified at
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2011-06-04
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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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