Chemical Components in the PDB

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6SX : Summary

Code

6SX

One-letter code

X

Molecule name

Purine riboside-3',5'-cyclic monophosphate

Synonyms

cPuMP

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.5 (4~{a}~{R},6~{R},7~{R},7~{a}~{S})-2-oxidanyl-2-oxidanylidene-6-purin-9-yl-4~{a},6,7,7~{a}-tetrahydro-4~{H}-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol

Formula

C10 H11 N4 O6 P

Formal charge

0

Molecular weight

314.191 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 O[CH]1[CH]2O[P](O)(=O)OC[CH]2O[CH]1n3cnc4cncnc34
SMILES OpenEye OEToolkits 2.0.5 c1c2c(ncn1)n(cn2)C3C(C4C(O3)COP(=O)(O4)O)O
Canonical SMILES CACTVS 3.385 O[C@@H]1[C@@H]2O[P](O)(=O)OC[C@H]2O[C@H]1n3cnc4cncnc34
Canonical SMILES OpenEye OEToolkits 2.0.5 c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O

IUPAC InChI

InChI=1S/C10H11N4O6P/c15-7-8-6(2-18-21(16,17)20-8)19-10(7)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15H,2H2,(H,16,17)/t6-,7-,8-,10-/m1/s1

IUPAC InChI key

AVSJXTVPIHQRPY-FDDDBJFASA-N
6SX

wwPDB Information

Atom count

32 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-06-16

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned