Chemical Components in the PDB

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VMF : Summary

Code

VMF

One-letter code

X

Molecule name

(2~{R},3~{R},4~{S},5~{R})-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (2~{R},3~{R},4~{S},5~{R})-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol

Formula

C6 H13 N O4

Formal charge

0

Molecular weight

163.172 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 OC[CH]1N[CH](CO)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 2.0.7 C(C1C(C(C(N1)CO)O)O)O
Canonical SMILES CACTVS 3.385 OC[C@H]1N[C@H](CO)[C@@H](O)[C@H]1O
Canonical SMILES OpenEye OEToolkits 2.0.7 C([C@@H]1[C@H]([C@H]([C@H](N1)CO)O)O)O

IUPAC InChI

InChI=1S/C6H13NO4/c8-1-3-5(10)6(11)4(2-9)7-3/h3-11H,1-2H2/t3-,4-,5-,6+/m1/s1

IUPAC InChI key

PFYHYHZGDNWFIF-KAZBKCHUSA-N
VMF

wwPDB Information

Atom count

24 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-07-28

Last modified at

2024-04-05

Status

Released

Obsoleted

Not Assigned