CHEBI:51227 - magnesium octaethylporphyrin

ChEBI IDCHEBI:51227
ChEBI Namemagnesium octaethylporphyrin
Stars
Last Modified14 August 2018
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC36H44MgN4
Net Charge0
Average Mass557.081
Monoisotopic Mass556.34164
SMILESCCC1=C(CC)/C2=C/c3c(CC)c(CC)c4[n]3[Mg][n]3/c(c(CC)c(CC)/c3=C/C3=N/C(=C\4)C(CC)=C3CC)=C\C1=N2
InChIInChI=1S/C36H44N4.Mg/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;/h17-20H,9-16H2,1-8H3;/q-2;+2/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;
InChIKeyTVLQTHMQVIWHGP-XTPDIVBZSA-N
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)
magnesium octaethylporphyrin (CHEBI:51227) has role fluorochrome (CHEBI:51217)
magnesium octaethylporphyrin (CHEBI:51227) is a magnesium porphyrin (CHEBI:25111)
IUPAC Name 
[2,3,7,8,12,13,17,18-octaethylporphyrinato(2−)-κ4N21,N22,N23,N24]magnesium
Synonyms  Source
2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphine magnesiumNIST Chemistry WebBook
MgOEPChemIDplus
2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphine magnesium(II)NIST Chemistry WebBook
Registry NumbersSources
Gmelin:90834Gmelin
Beilstein:1235208Beilstein
CAS:20910-35-4NIST Chemistry WebBook
CAS:20910-35-4ChemIDplus