Chemical Components in the PDB

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DZM : Summary

Code

DZM

One-letter code

A

Molecule name

3-deaza-3-methyladenine

Synonyms

1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-7-methyl-1H-imidazo[4,5-c]pyridin-4-amine

Systematic names

ProgramVersionName
ACDLabs 11.02 1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-7-methyl-1H-imidazo[4,5-c]pyridin-4-amine
OpenEye OEToolkits 1.6.1 [(2R,3S,5R)-5-(4-azanyl-7-methyl-imidazo[4,5-c]pyridin-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate

Formula

C12 H17 N4 O6 P

Formal charge

0

Molecular weight

344.26 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 11.02 O=P(O)(O)OCC3OC(n1cnc2c1c(cnc2N)C)CC3O
SMILES CACTVS 3.352 Cc1cnc(N)c2ncn([CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)c12
SMILES OpenEye OEToolkits 1.7.0 Cc1cnc(c2c1n(cn2)C3CC(C(O3)COP(=O)(O)O)O)N
Canonical SMILES CACTVS 3.352 Cc1cnc(N)c2ncn([C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3)c12
Canonical SMILES OpenEye OEToolkits 1.7.0 Cc1cnc(c2c1n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N

IUPAC InChI

InChI=1S/C12H17N4O6P/c1-6-3-14-12(13)10-11(6)16(5-15-10)9-2-7(17)8(22-9)4-21-23(18,19)20/h3,5,7-9,17H,2,4H2,1H3,(H2,13,14)(H2,18,19,20)/t7-,8+,9+/m0/s1

IUPAC InChI key

IQDCOTYILQNADN-DJLDLDEBSA-N
DZM

wwPDB Information

Atom count

40 (23 without Hydrogen)

Polymer type

Deoxy ribonucleotide

Type description

DNA LINKING

Type code

ATOMN

Is modified

Yes

Standard parent

DA

Defined at

2009-09-24

Last modified at

2021-03-13

Status

Released

Obsoleted

Not Assigned