Chemical Components in the PDB

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8YN : Summary

Code

8YN

One-letter code

C

Molecule name

Pseudoisocytidine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 [(2~{R},3~{S},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-pyrimidin-5-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate

Formula

C9 H14 N3 O7 P

Formal charge

0

Molecular weight

307.197 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 NC1=NC=C([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)N1
SMILES OpenEye OEToolkits 2.0.7 C1C(C(OC1C2=CN=C(NC2=O)N)COP(=O)(O)O)O
Canonical SMILES CACTVS 3.385 NC1=NC=C([C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2)C(=O)N1
Canonical SMILES OpenEye OEToolkits 2.0.7 C1[C@@H]([C@H](O[C@H]1C2=CN=C(NC2=O)N)COP(=O)(O)O)O

IUPAC InChI

InChI=1S/C9H14N3O7P/c10-9-11-2-4(8(14)12-9)6-1-5(13)7(19-6)3-18-20(15,16)17/h2,5-7,13H,1,3H2,(H2,15,16,17)(H3,10,11,12,14)/t5-,6+,7+/m0/s1

IUPAC InChI key

LMPCXRMBUOVHQD-RRKCRQDMSA-N
8YN

wwPDB Information

Atom count

34 (20 without Hydrogen)

Polymer type

Deoxy ribonucleotide

Type description

DNA linking

Type code

ATOMN

Is modified

Yes

Standard parent

DC

Defined at

2017-03-27

Last modified at

2019-05-07

Status

Released

Obsoleted

Not Assigned