Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

P6D : Summary

Code

P6D

One-letter code

X

Molecule name

2'-azidocytidine

Systematic names

Not Assigned

Formula

C9 H13 N6 O4

Formal charge

0

Molecular weight

269.237 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 NC1=NC(=O)N(C=C1)[CH]2O[CH](CO)[CH](O)[CH]2N=[N+]=[NH-]
SMILES OpenEye OEToolkits 2.0.7 C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)N=[N+]=[NH-]
Canonical SMILES CACTVS 3.385 NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N=[N+]=[NH-]
Canonical SMILES OpenEye OEToolkits 2.0.7 C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)N=[N+]=[NH-]

IUPAC InChI

InChI=1S/C9H13N6O4/c10-5-1-2-15(9(18)12-5)8-6(13-14-11)7(17)4(3-16)19-8/h1-2,4,6-8,11,16-17H,3H2,(H2,10,12,18)/t4-,6-,7-,8-/m1/s1

IUPAC InChI key

SXKUZFQHWHCRFO-XVFCMESISA-N
P6D

wwPDB Information

Atom count

32 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

ATOMN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-07-31

Last modified at

2020-07-24

Status

Released

Obsoleted

Not Assigned