Chemical Components in the PDB

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MYS : Summary

Code

MYS

One-letter code

X

Molecule name

PENTADECANE

Systematic names

ProgramVersionName
ACDLabs 10.04 pentadecane
OpenEye OEToolkits 1.5.0 pentadecane

Formula

C15 H32

Formal charge

0

Molecular weight

212.415 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 C(CCCCCC)CCCCCCCC
SMILES CACTVS 3.341 CCCCCCCCCCCCCCC
SMILES OpenEye OEToolkits 1.5.0 CCCCCCCCCCCCCCC
Canonical SMILES CACTVS 3.341 CCCCCCCCCCCCCCC
Canonical SMILES OpenEye OEToolkits 1.5.0 CCCCCCCCCCCCCCC

IUPAC InChI

InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3

IUPAC InChI key

YCOZIPAWZNQLMR-UHFFFAOYSA-N
MYS

wwPDB Information

Atom count

47 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2000-06-22

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned