Chemical Components in the PDB

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QPT : Summary

Code

QPT

One-letter code

X

Molecule name

carboplatin

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.7.2 [7-azaniumyl-5,9-bis(oxidanylidene)-6,8-dioxa-7$l^{4}-platinaspiro[3.5]nonan-7-yl]azanium

Formula

C6 H12 N2 O4 Pt

Formal charge

2

Molecular weight

371.248 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.370 N|[Pt]1(|N)OC(=O)C2(CCC2)C(=O)O1
SMILES OpenEye OEToolkits 1.7.2 C1CC2(C1)C(=O)O[Pt](OC2=O)([NH3+])[NH3+]
Canonical SMILES CACTVS 3.370 N|[Pt]1(|N)OC(=O)C2(CCC2)C(=O)O1
Canonical SMILES OpenEye OEToolkits 1.7.2 C1CC2(C1)C(=O)O[Pt](OC2=O)([NH3+])[NH3+]

IUPAC InChI

InChI=1S/C6H8O4.2H3N.Pt/c7-4(8)6(5(9)10)2-1-3-6;;;/h1-3H2,(H,7,8)(H,9,10);2*1H3;/q;;;+4/p-2

IUPAC InChI key

BHKICZDKIIDMNR-UHFFFAOYSA-L
QPT

wwPDB Information

Atom count

25 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2011-09-28

Last modified at

2012-04-20

Status

Released

Obsoleted

Not Assigned