Chemical Components in the PDB

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PTL : Summary

Code

PTL

One-letter code

X

Molecule name

PENTANAL

Systematic names

ProgramVersionName
ACDLabs 10.04 pentanal
OpenEye OEToolkits 1.5.0 pentanal

Formula

C5 H10 O

Formal charge

0

Molecular weight

86.132 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=CCCCC
SMILES CACTVS 3.341 CCCCC=O
SMILES OpenEye OEToolkits 1.5.0 CCCCC=O
Canonical SMILES CACTVS 3.341 CCCCC=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CCCCC=O

IUPAC InChI

InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3

IUPAC InChI key

HGBOYTHUEUWSSQ-UHFFFAOYSA-N
PTL

wwPDB Information

Atom count

16 (6 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned