Chemical Components in the PDB

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CMP : Summary

Code

CMP

One-letter code

X

Molecule name

ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE

Synonyms

CYCLIC AMP
CAMP

Systematic names

ProgramVersionName
ACDLabs 10.04 (2R,4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide
OpenEye OEToolkits 1.5.0 (1R,4R,6S,7R,8R)-8-(6-aminopurin-9-yl)-4-hydroxy-4-oxo-3,5,9-trioxa-4$l^{5}-phosphabicyclo[4.3.0]nonan-7-ol

Formula

C10 H12 N5 O6 P

Formal charge

0

Molecular weight

329.206 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P3(OCC4OC(n1c2ncnc(N)c2nc1)C(O)C4O3)O
SMILES CACTVS 3.341 Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](O)(=O)O[CH]4[CH]3O
SMILES OpenEye OEToolkits 1.5.0 c1nc(c2c(n1)n(cn2)C3C(C4C(O3)COP(=O)(O4)O)O)N
Canonical SMILES CACTVS 3.341 Nc1ncnc2n(cnc12)[C@@H]3O[C@@H]4CO[P@](O)(=O)O[C@H]4[C@H]3O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N

IUPAC InChI

InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1

IUPAC InChI key

IVOMOUWHDPKRLL-KQYNXXCUSA-N
CMP

wwPDB Information

Atom count

34 (22 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2020-05-28

Status

Released

Obsoleted

Not Assigned