Chemical Components in the PDB

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VP5 : Summary

Code

VP5

One-letter code

X

Molecule name

(3~{S},4~{R})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (3~{S},4~{R})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid

Formula

C6 H11 N O5

Formal charge

0

Molecular weight

177.155 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 O[CH]1[CH](CNCC1(O)O)C(O)=O
SMILES OpenEye OEToolkits 2.0.7 C1C(C(C(CN1)(O)O)O)C(=O)O
Canonical SMILES CACTVS 3.385 O[C@@H]1[C@H](CNCC1(O)O)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 C1[C@@H]([C@H](C(CN1)(O)O)O)C(=O)O

IUPAC InChI

InChI=1S/C6H11NO5/c8-4-3(5(9)10)1-7-2-6(4,11)12/h3-4,7-8,11-12H,1-2H2,(H,9,10)/t3-,4+/m0/s1

IUPAC InChI key

VJJFPBNJYGLWRR-IUYQGCFVSA-N
VP5

wwPDB Information

Atom count

23 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-03-23

Last modified at

2024-01-05

Status

Released

Obsoleted

Not Assigned