Chemical Components in the PDB

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T0A : Summary

Code

T0A

One-letter code

X

Molecule name

5-deazatetrahydropterin

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 2-azanyl-5,6,7,8-tetrahydro-3~{H}-pyrido[2,3-d]pyrimidin-4-one

Formula

C7 H10 N4 O

Formal charge

0

Molecular weight

166.18 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 NC1=NC2=C(CCCN2)C(=O)N1
SMILES OpenEye OEToolkits 2.0.6 C1CC2=C(NC1)N=C(NC2=O)N
Canonical SMILES CACTVS 3.385 NC1=NC2=C(CCCN2)C(=O)N1
Canonical SMILES OpenEye OEToolkits 2.0.6 C1CC2=C(NC1)N=C(NC2=O)N

IUPAC InChI

InChI=1S/C7H10N4O/c8-7-10-5-4(6(12)11-7)2-1-3-9-5/h1-3H2,(H4,8,9,10,11,12)

IUPAC InChI key

PRQFDDYAWVNJMM-UHFFFAOYSA-N
T0A

wwPDB Information

Atom count

22 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-12-08

Last modified at

2019-12-13

Status

Released

Obsoleted

Not Assigned