Chemical Components in the PDB

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MCY : Summary

Code

MCY

One-letter code

C

Molecule name

5-METHYL-2'-DEOXYCYTIDINE

Systematic names

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

Formula

C10 H15 N3 O4

Formal charge

0

Molecular weight

241.244 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1N=C(N)C(=CN1C2OC(C(O)C2)CO)C
SMILES CACTVS 3.341 CC1=CN([CH]2C[CH](O)[CH](CO)O2)C(=O)N=C1N
SMILES OpenEye OEToolkits 1.5.0 CC1=CN(C(=O)N=C1N)C2CC(C(O2)CO)O
Canonical SMILES CACTVS 3.341 CC1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N=C1N
Canonical SMILES OpenEye OEToolkits 1.5.0 CC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)CO)O

IUPAC InChI

InChI=1S/C10H15N3O4/c1-5-3-13(10(16)12-9(5)11)8-2-6(15)7(4-14)17-8/h3,6-8,14-15H,2,4H2,1H3,(H2,11,12,16)/t6-,7+,8+/m0/s1

IUPAC InChI key

LUCHPKXVUGJYGU-XLPZGREQSA-N
MCY

wwPDB Information

Atom count

32 (17 without Hydrogen)

Polymer type

Deoxy ribonucleotide

Type description

DNA LINKING

Type code

ATOMN

Is modified

Yes

Standard parent

DC

Defined at

2000-06-01

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned