EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:234098 - sodium magnesium chlorophyllin

ChEBI IDCHEBI:234098
ChEBI Namesodium magnesium chlorophyllin
Stars
SubmitterFlyBase
DownloadsMolfile
FormulaC34H31N4O6.Mg.3Na
Net Charge0
Average Mass684.919
Monoisotopic Mass684.17871
SMILES[H][C@@]1(CCC(=O)[O-])Cc2nc1c(C)c1nc(cc3[n-]c(cc4[n-]c(c(C(=O)[O-])c4C)c2CC(=O)[O-])c(CC)c3C)C(C=C)=C1C.[Mg+2].[Na+].[Na+].[Na+]
InChIInChI=1S/C34H36N4O6.Mg.3Na/c1-7-20-15(3)23-13-27-21(8-2)16(4)31(37-27)18(6)32-19(9-10-28(39)40)11-25(38-32)22(12-29(41)42)33-30(34(43)44)17(5)24(36-33)14-26(20)35-23;;;;/h8,13-14,19H,2,7,9-12H2,1,3-6H3,(H5,35,36,37,38,39,40,41,42,43,44);;;;/q;+2;3*+1/p-5/t19-;;;;/m1..../s1
InChIKeyJVOGSHDZLOJKKR-MXFMKSRJSA-I
Roles Classification
Application:
photosensitizing agent  A chemical compound that can be excited by light of a specific wavelength and subsequently transfer energy to a chosen reactant. This is commonly molecular oxygen within a cancer tissue, which is converted to (highly rective) singlet state oxygen. This rapidly reacts with any nearby biomolecules, ultimately killing the cancer cells.
ChEBI Ontology
Outgoing Relation(s)
sodium magnesium chlorophyllin (CHEBI:234098) has role photosensitizing agent (CHEBI:47868)
sodium magnesium chlorophyllin (CHEBI:234098) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
magnesium;trisodium;(17R)-17-(2-carboxylatoethyl)-20-(carboxylatomethyl)-12-ethenyl-7-ethyl-3,8,13,15-tetramethyl-17,18-dihydroporphyrin-21,23-diide-2-carboxylate
Registry NumbersSources
CAS:15203-43-7SUBMITTER
Citations