Chemical Components in the PDB

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YA4 : Summary

Code

YA4

One-letter code

X

Molecule name

[(2~{R},3~{S},4~{S})-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphinic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 [(2~{R},3~{S},4~{S})-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphinic acid

Formula

C5 H11 O6 P S

Formal charge

0

Molecular weight

230.176 Da

SMILES

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

IUPAC InChI

InChI=1S/C5H11O6PS/c6-3-1-10-4(5(3)7)2-11-12(8,9)13/h3-7H,1-2H2,(H2,8,9,13)/t3-,4+,5-/m0/s1

IUPAC InChI key

HBCHIJUQXWEATM-LMVFSUKVSA-N
YA4

wwPDB Information

Atom count

24 (13 without Hydrogen)

Polymer type

Ribonucleotide

Type description

RNA linking

Type code

ATOMN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-02-12

Last modified at

2021-07-30

Status

Released

Obsoleted

Not Assigned