Chemical Components in the PDB

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MA6 : Summary

Code

MA6

One-letter code

A

Molecule name

6N-DIMETHYLADENOSINE-5'-MONOPHOSHATE

Systematic names

ProgramVersionName
ACDLabs 12.01 N,N-dimethyladenosine 5'-(dihydrogen phosphate)
OpenEye OEToolkits 2.0.7 [(2~{R},3~{S},4~{R},5~{R})-5-[6-(dimethylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

Formula

C12 H18 N5 O7 P

Formal charge

0

Molecular weight

375.274 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 CN(C)c1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O
SMILES CACTVS 3.385 CN(C)c1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
SMILES OpenEye OEToolkits 2.0.7 CN(C)c1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O
Canonical SMILES CACTVS 3.385 CN(C)c1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
Canonical SMILES OpenEye OEToolkits 2.0.7 CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O

IUPAC InChI

InChI=1S/C12H18N5O7P/c1-16(2)10-7-11(14-4-13-10)17(5-15-7)12-9(19)8(18)6(24-12)3-23-25(20,21)22/h4-6,8-9,12,18-19H,3H2,1-2H3,(H2,20,21,22)/t6-,8-,9-,12-/m1/s1

IUPAC InChI key

OWRDTHWSVNWFAZ-WOUKDFQISA-N
MA6

wwPDB Information

Atom count

43 (25 without Hydrogen)

Polymer type

Ribonucleotide

Type description

RNA LINKING

Type code

ATOMN

Is modified

Yes

Standard parent

A

Defined at

1999-07-08

Last modified at

2024-03-27

Status

Released

Obsoleted

Not Assigned