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CUY : Summary
Code
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CUY
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One-letter code
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X
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Molecule name
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tetracosyl octadecanoate
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Systematic names
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Formula
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C42 H84 O2
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Formal charge
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0
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Molecular weight
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621.115 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
C(CCCCCCCC)CCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC |
SMILES
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CACTVS |
3.385 |
CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC |
SMILES
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OpenEye OEToolkits |
2.0.6 |
CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC |
Canonical SMILES
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CACTVS |
3.385 |
CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC |
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IUPAC InChI | InChI=1S/C42H84O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-39-41-44-42(43)40-38-36-34-32-30-28-26-18-16-14-12-10-8-6-4-2/h3-41H2,1-2H3 |
IUPAC InChI key | JKKQRJTZBKHHOI-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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128 (44 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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2017-10-03
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Last modified at
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2017-10-27
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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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