Chemical Components in the PDB

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M7A : Summary

Code

M7A

One-letter code

A

Molecule name

7-methyl, adenosine-5'-monophosphate

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 [(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-7-methyl-8~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

Formula

C11 H18 N5 O7 P

Formal charge

0

Molecular weight

363.264 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CN1CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)c3ncnc(N)c13
SMILES OpenEye OEToolkits 2.0.6 CN1CN(c2c1c(ncn2)N)C3C(C(C(O3)COP(=O)(O)O)O)O
Canonical SMILES CACTVS 3.385 CN1CN([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O)c3ncnc(N)c13
Canonical SMILES OpenEye OEToolkits 2.0.6 CN1CN(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O

IUPAC InChI

InChI=1S/C11H18N5O7P/c1-15-4-16(10-6(15)9(12)13-3-14-10)11-8(18)7(17)5(23-11)2-22-24(19,20)21/h3,5,7-8,11,17-18H,2,4H2,1H3,(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1

IUPAC InChI key

FKHMVBQIIIBSCT-IOSLPCCCSA-N
M7A

wwPDB Information

Atom count

42 (24 without Hydrogen)

Polymer type

Ribonucleotide

Type description

RNA linking

Type code

ATOMN

Is modified

Yes

Standard parent

A

Defined at

2017-09-25

Last modified at

2019-05-02

Status

Released

Obsoleted

Not Assigned