Chlorophyllin
magnesium;3-[20-(carboxylatomethyl)-18-(dioxidomethylidene)-8-ethenyl-13-ethyl-3,7,12,17-tetramethyl-2,3-dihydroporphyrin-23-id-2-yl]propanoate;hydron
Molecular Identity
Chlorophyllin
magnesium;3-[20-(carboxylatomethyl)-18-(dioxidomethylidene)-8-ethenyl-13-ethyl-3,7,12,17-tetramethyl-2,3-dihydroporphyrin-23-id-2-yl]propanoate;hydron
PubChem CID: 123798
2D Structure
Properties
C34H34MgN4O6
Molecular Formula
619.00
Molecular Weight
g/mol
618.2329
Exact Mass
Da
164
TPSA
May have limited oral absorption
3
H-Bond Donors
10
H-Bond Acceptors
1750
Complexity
SMILES
Canonical SMILES
SMILES: [H+].[H+].[H+].CCC1=C(C2=CC3=NC(=CC4=NC(=C(C5=NC(=C(C5=C([O-])[O-])C)C=C1[N-]2)CC(=O)[O-])C(C4C)CCC(=O)[O-])C(=C3C=C)C)C.[Mg+2]Isomeric SMILES
SMILES: [H+].[H+].[H+].CCC1=C(C2=CC3=NC(=CC4=NC(=C(C5=NC(=C(C5=C([O-])[O-])C)C=C1[N-]2)CC(=O)[O-])C(C4C)CCC(=O)[O-])C(=C3C=C)C)C.[Mg+2]Synonyms(20)
Chlorophyllin ADTXSID90872455copper chlorophyllChloresiumDerifilCu-chlorinCu-ChCu-Chl-Nazinc chlorophyllin aRefChem:125484sodium cobalt chlorophyllinDTXCID80820102CHLOROPHYLLIN COPPER COMPLEX SODIUM SALTmagnesium(2+) ion trihydrogen 9-(2-carboxylatoethyl)-7-(carboxylatomethyl)-5-(dioxidomethylidene)-15-ethenyl-20-ethyl-4,10,14,19-tetramethyl-21,22,23,24-tetraazapentacyclo(16.2.1.13,6.18,11.113,16)tetracosa-1,3,6(24),7,11(23),12,14,16(22),17,19-decaen-21-ideChlorophyllin
Data from PubChem (NCBI)
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