Chemical Components in the PDB

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F6X : Summary

Code

F6X

One-letter code

X

Molecule name

[(2R,3R)-3-[2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)ethanoylamino]-4-oxidanyl-butan-2-yl] dihydrogen phosphate

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 [(2~{R},3~{R})-3-[2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)ethanoylamino]-4-oxidanyl-butan-2-yl] dihydrogen phosphate

Formula

C10 H17 N4 O7 P

Formal charge

0

Molecular weight

336.238 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 C[CH](O[P](O)(O)=O)[CH](CO)NC(=O)CN1C=CC(=NC1=O)N
SMILES OpenEye OEToolkits 2.0.7 CC(C(CO)NC(=O)CN1C=CC(=NC1=O)N)OP(=O)(O)O
Canonical SMILES CACTVS 3.385 C[C@@H](O[P](O)(O)=O)[C@@H](CO)NC(=O)CN1C=CC(=NC1=O)N
Canonical SMILES OpenEye OEToolkits 2.0.7 C[C@H]([C@@H](CO)NC(=O)CN1C=CC(=NC1=O)N)OP(=O)(O)O

IUPAC InChI

InChI=1S/C10H17N4O7P/c1-6(21-22(18,19)20)7(5-15)12-9(16)4-14-3-2-8(11)13-10(14)17/h2-3,6-7,15H,4-5H2,1H3,(H,12,16)(H2,11,13,17)(H2,18,19,20)/t6-,7-/m1/s1

IUPAC InChI key

BNPHLZWYYOHAKE-RNFRBKRXSA-N
F6X

wwPDB Information

Atom count

39 (22 without Hydrogen)

Polymer type

Deoxy ribonucleotide

Type description

DNA linking

Type code

ATOMN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-04-03

Last modified at

2020-11-20

Status

Released

Obsoleted

Not Assigned