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CHEBI:52246 - platinum(II) octaethylporphyrin ketone

Default Structure
ChEBI IDCHEBI:52246
ChEBI Nameplatinum(II) octaethylporphyrin ketone
Stars
DefinitionA platinum(II) porphyrin compound having a 2-keto group and eight ethyl substituents in the 3-, 3-, 7-, 8-, 12-, 13-, 17- and 18-positions.
Last Modified20 July 2009
SubmitterInma Spiteri
DownloadsMolfile
FormulaC36H44N4OPt
Net Charge0
Average Mass743.853
Monoisotopic Mass743.31630
SMILESCCC1=C(CC)C2=[N]3C1=Cc1c(CC)c(CC)c4[n]1[Pt]31[N]3=C(C=c5c(CC)c(CC)c([n]51)=C2)C(=O)C(CC)(CC)C3=C4
InChIInChI=1S/C36H45N4O.Pt/c1-9-21-22(10-2)28-18-30-25(13-5)26(14-6)32(39-30)20-34-36(15-7,16-8)35(41)33(40-34)19-31-24(12-4)23(11-3)29(38-31)17-27(21)37-28;/h17-20H,9-16H2,1-8H3,(H-,37,38,39,40,41);/q-1;+2/p-1
InChIKeyDKPOGYJJFLIBKP-UHFFFAOYSA-M
Roles Classification
Biological Role:
cofactor  An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group).
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
platinum(II) octaethylporphyrin ketone (CHEBI:52246) has role fluorochrome (CHEBI:51217)
platinum(II) octaethylporphyrin ketone (CHEBI:52246) is a platinum porphyrin (CHEBI:52244)
IUPAC Name 
[3,3,7,8,12,13,17,18-octaethylporphyrin-2(3H)-onato-κ4N21,N22,N23,N24]platinum(II)
Synonym  Source
PtOEPKChEBI