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TRD : Summary
Code 
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TRD
|
One-letter code 
|
X
|
Molecule name 
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TRIDECANE
|
Synonyms 
|
LIPID FRAGMENT
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Systematic names 
|
|
Formula 
|
C13 H28
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Formal charge 
|
0
|
Molecular weight 
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184.361 Da
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SMILES 
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
C(CCCCCCCC)CCCC |
SMILES
|
CACTVS |
3.341 |
CCCCCCCCCCCCC |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
CCCCCCCCCCCCC |
Canonical SMILES
|
CACTVS |
3.341 |
CCCCCCCCCCCCC |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
CCCCCCCCCCCCC |
|
IUPAC InChI  | InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3 |
IUPAC InChI key  | IIYFAKIEWZDVMP-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count 
|
41 (13 without Hydrogen)
|
Polymer type 
|
Bound ligand
|
Type description 
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NON-POLYMER
|
Type code 
|
HETAIN
|
Is modified 
|
No
|
Standard parent 
|
Not Assigned
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Defined at 
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1999-09-17
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Last modified at 
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2020-06-17
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Status 
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Released
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Obsoleted 
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Not Assigned
|
|