Chemical Components in the PDB

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VDF : Summary

Code

VDF

One-letter code

X

Molecule name

2-O-phosphono-beta-L-arabinopyranose

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 [(2~{S},3~{R},4~{S},5~{S})-2,4,5-tris(oxidanyl)oxan-3-yl] dihydrogen phosphate

Formula

C5 H11 O8 P

Formal charge

0

Molecular weight

230.11 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 O[CH]1CO[CH](O)[CH](O[P](O)(O)=O)[CH]1O
SMILES OpenEye OEToolkits 2.0.7 C1C(C(C(C(O1)O)OP(=O)(O)O)O)O
Canonical SMILES CACTVS 3.385 O[C@H]1CO[C@H](O)[C@H](O[P](O)(O)=O)[C@H]1O
Canonical SMILES OpenEye OEToolkits 2.0.7 C1[C@@H]([C@@H]([C@H]([C@H](O1)O)OP(=O)(O)O)O)O

IUPAC InChI

InChI=1S/C5H11O8P/c6-2-1-12-5(8)4(3(2)7)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4+,5-/m0/s1

IUPAC InChI key

QIAIUTJEZJIPSH-KLVWXMOXSA-N
VDF

wwPDB Information

Atom count

25 (14 without Hydrogen)

Polymer type

Saccharide

Type description

L-saccharide, beta linking

Type code

ATOMS

Is modified

Yes

Standard parent

ARB

Defined at

2023-03-01

Last modified at

2024-01-19

Status

Released

Obsoleted

Not Assigned