Chemical Components in the PDB

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TRD : Summary

Code

TRD

One-letter code

X

Molecule name

TRIDECANE

Synonyms

LIPID FRAGMENT

Systematic names

ProgramVersionName
ACDLabs 10.04 tridecane
OpenEye OEToolkits 1.5.0 tridecane

Formula

C13 H28

Formal charge

0

Molecular weight

184.361 Da

SMILES

TypeProgramVersionDescriptor
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
TRD

wwPDB Information

Atom count

41 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-09-17

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned