Chemical Components in the PDB

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8AZ : Summary

Code

8AZ

One-letter code

X

Molecule name

8-aza-nebularine-5'-monophosphate

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.4 [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-[(7~{R})-7-oxidanyl-6,7-dihydro-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]oxolan-2-yl]methyl dihydrogen phosphate

Formula

C9 H14 N5 O8 P

Formal charge

0

Molecular weight

351.21 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 O[CH]1NC=Nc2n(nnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
SMILES OpenEye OEToolkits 2.0.4 C1=Nc2c(nnn2C3C(C(C(O3)COP(=O)(O)O)O)O)C(N1)O
Canonical SMILES CACTVS 3.385 O[C@H]1NC=Nc2n(nnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
Canonical SMILES OpenEye OEToolkits 2.0.4 C1=Nc2c(nnn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)[C@H](N1)O

IUPAC InChI

InChI=1S/C9H14N5O8P/c15-5-3(1-21-23(18,19)20)22-9(6(5)16)14-7-4(12-13-14)8(17)11-2-10-7/h2-3,5-6,8-9,15-17H,1H2,(H,10,11)(H2,18,19,20)/t3-,5-,6-,8-,9-/m1/s1

IUPAC InChI key

SBZIEWBNPJQPBV-TWZMMTIKSA-N
8AZ

wwPDB Information

Atom count

37 (23 without Hydrogen)

Polymer type

Ribonucleotide

Type description

RNA linking

Type code

ATOMN

Is modified

No

Standard parent

Not Assigned

Defined at

2015-10-27

Last modified at

2016-04-08

Status

Released

Obsoleted

Not Assigned