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SQU : Summary
Code ![](/pdbe/static/images/help.png)
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SQU
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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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2,10,23-TRIMETHYL-TETRACOSANE
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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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C27 H56
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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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380.734 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 |
C(CCCCCCCC(C)CCCCCCCCCCCCC(C)C)(C)C |
SMILES
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CACTVS |
3.341 |
CC(C)CCCCCCCCCCCCC(C)CCCCCCCC(C)C |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CC(C)CCCCCCCCCCCCC(C)CCCCCCCC(C)C |
Canonical SMILES
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CACTVS |
3.341 |
CC(C)CCCCCCCCCCCCC(C)CCCCCCCC(C)C |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CC(C)CCCCCCCCCCCC[C@@H](C)CCCCCCCC(C)C |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C27H56/c1-25(2)21-17-13-10-8-6-7-9-11-15-19-23-27(5)24-20-16-12-14-18-22-26(3)4/h25-27H,6-24H2,1-5H3/t27-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | ZADHKSJXSZBQFB-HHHXNRCGSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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83 (27 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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1999-09-16
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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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