Chemical Components in the PDB

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XDN : Summary

Code

XDN

One-letter code

X

Molecule name

PIPERIDINE-3,4,5-TRIOL

Systematic names

ProgramVersionName
ACDLabs 12.01 (3R,4r,5S)-piperidine-3,4,5-triol
OpenEye OEToolkits 1.7.6 (3R,5S)-piperidine-3,4,5-triol

Formula

C5 H11 N O3

Formal charge

0

Molecular weight

133.146 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 OC1CNCC(O)C1O
SMILES CACTVS 3.370 O[CH]1CNC[CH](O)[CH]1O
SMILES OpenEye OEToolkits 1.7.6 C1C(C(C(CN1)O)O)O
Canonical SMILES CACTVS 3.370 O[C@H]1CNC[C@@H](O)[C@@H]1O
Canonical SMILES OpenEye OEToolkits 1.7.6 C1[C@H](C([C@H](CN1)O)O)O

IUPAC InChI

InChI=1S/C5H11NO3/c7-3-1-6-2-4(8)5(3)9/h3-9H,1-2H2/t3-,4+,5+

IUPAC InChI key

RMCNETIHECSPMZ-SCDXWVJYSA-N
XDN

wwPDB Information

Atom count

20 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2000-08-16

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned