Chemical Components in the PDB

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F6U : Summary

Code

F6U

One-letter code

X

Molecule name

[(2R,3R)-3-[2-(6-aminopurin-9-yl)ethanoylamino]-4-oxidanyl-butan-2-yl] dihydrogen phosphate

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 [(2~{R},3~{R})-3-[2-(6-aminopurin-9-yl)ethanoylamino]-4-oxidanyl-butan-2-yl] dihydrogen phosphate

Formula

C11 H17 N6 O6 P

Formal charge

0

Molecular weight

360.263 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 C[CH](O[P](O)(O)=O)[CH](CO)NC(=O)Cn1cnc2c(N)ncnc12
SMILES OpenEye OEToolkits 2.0.7 CC(C(CO)NC(=O)Cn1cnc2c1ncnc2N)OP(=O)(O)O
Canonical SMILES CACTVS 3.385 C[C@@H](O[P](O)(O)=O)[C@@H](CO)NC(=O)Cn1cnc2c(N)ncnc12
Canonical SMILES OpenEye OEToolkits 2.0.7 C[C@H]([C@@H](CO)NC(=O)Cn1cnc2c1ncnc2N)OP(=O)(O)O

IUPAC InChI

InChI=1S/C11H17N6O6P/c1-6(23-24(20,21)22)7(3-18)16-8(19)2-17-5-15-9-10(12)13-4-14-11(9)17/h4-7,18H,2-3H2,1H3,(H,16,19)(H2,12,13,14)(H2,20,21,22)/t6-,7-/m1/s1

IUPAC InChI key

USXONNDLXUHCOD-RNFRBKRXSA-N
F6U

wwPDB Information

Atom count

41 (24 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