Chemical Components in the PDB

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T3P : Summary

Code

T3P

One-letter code

T

Molecule name

THYMIDINE-3'-PHOSPHATE

Synonyms

ALPHA-ANOMERIC THYMIDINE-3'-PHOSPHATE

Systematic names

ProgramVersionName
ACDLabs 10.04 3'-thymidylic acid
OpenEye OEToolkits 1.5.0 [(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-3-yl] dihydrogen phosphate

Formula

C10 H15 N2 O8 P

Formal charge

0

Molecular weight

322.208 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1NC(=O)N(C=C1C)C2OC(C(OP(=O)(O)O)C2)CO
SMILES CACTVS 3.341 CC1=CN([CH]2C[CH](O[P](O)(O)=O)[CH](CO)O2)C(=O)NC1=O
SMILES OpenEye OEToolkits 1.5.0 CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)OP(=O)(O)O
Canonical SMILES CACTVS 3.341 CC1=CN([C@H]2C[C@H](O[P](O)(O)=O)[C@@H](CO)O2)C(=O)NC1=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)OP(=O)(O)O

IUPAC InChI

InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(7(4-13)19-8)20-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1

IUPAC InChI key

XXYIANZGUOSQHY-XLPZGREQSA-N
T3P

wwPDB Information

Atom count

36 (21 without Hydrogen)

Polymer type

Deoxy ribonucleotide

Type description

DNA LINKING

Type code

ATOMN

Is modified

Yes

Standard parent

DT

Defined at

1999-08-26

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned