Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

2NT : Summary

Code

2NT

One-letter code

T

Molecule name

2'-O-[2-[HYDROXY(METHYLENEAMINO)OXY]ETHYL THYMIDINE-5'-MONOPHOSPHATE

Systematic names

ProgramVersionName
ACDLabs 10.04 2'-O-(2-{[(hydroxymethyl)amino]oxy}ethyl)-5-methyluridine 5'-(dihydrogen phosphate)
OpenEye OEToolkits 1.5.0 [(2R,3R,4R,5R)-3-hydroxy-4-[2-(hydroxymethylamino)oxyethoxy]-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate

Formula

C13 H22 N3 O11 P

Formal charge

0

Molecular weight

427.301 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1NC(=O)N(C=C1C)C2OC(C(O)C2OCCONCO)COP(=O)(O)O
SMILES CACTVS 3.341 CC1=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2OCCONCO)C(=O)NC1=O
SMILES OpenEye OEToolkits 1.5.0 CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)OCCONCO
Canonical SMILES CACTVS 3.341 CC1=CN([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2OCCONCO)C(=O)NC1=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCONCO

IUPAC InChI

InChI=1S/C13H22N3O11P/c1-7-4-16(13(20)15-11(7)19)12-10(24-2-3-25-14-6-17)9(18)8(27-12)5-26-28(21,22)23/h4,8-10,12,14,17-18H,2-3,5-6H2,1H3,(H,15,19,20)(H2,21,22,23)/t8-,9-,10-,12-/m1/s1

IUPAC InChI key

FVJMEWQZKWJLGQ-DNRKLUKYSA-N
2NT

wwPDB Information

Atom count

50 (28 without Hydrogen)

Polymer type

Deoxy ribonucleotide

Type description

RNA LINKING

Type code

ATOMN

Is modified

Yes

Standard parent

DT

Defined at

2004-12-13

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned