Chemical Components in the PDB

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DCZ : Summary

Code

DCZ

One-letter code

X

Molecule name

2'-DEOXYCYTIDINE

Systematic names

ProgramVersionName
ACDLabs 10.04 2'-deoxycytidine
OpenEye OEToolkits 1.5.0 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

Formula

C9 H13 N3 O4

Formal charge

0

Molecular weight

227.217 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1N=C(N)C=CN1C2OC(C(O)C2)CO
SMILES CACTVS 3.341 NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO)O2
SMILES OpenEye OEToolkits 1.5.0 C1C(C(OC1N2C=CC(=NC2=O)N)CO)O
Canonical SMILES CACTVS 3.341 NC1=NC(=O)N(C=C1)[C@H]2C[C@H](O)[C@@H](CO)O2
Canonical SMILES OpenEye OEToolkits 1.5.0 C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O

IUPAC InChI

InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1

IUPAC InChI key

CKTSBUTUHBMZGZ-SHYZEUOFSA-N
DCZ

wwPDB Information

Atom count

29 (16 without Hydrogen)

Polymer type

Deoxy ribonucleotide

Type description

DNA OH 5 prime terminus

Type code

ATOMN

Is modified

No

Standard parent

Not Assigned

Defined at

2001-05-30

Last modified at

2017-07-13

Status

Released

Obsoleted

Not Assigned