Identification Common Name Chlorophyll a Class Small Molecule Description Contaminant Sources Contaminant Type Chemical Structure Synonyms Value Source (SP-4-2)-((2E,7R,11R)-3,7,11,15-Tetramethyl-2-hexadecenyl (3S,4S,21R)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(2-)-kappan(23),kappan(24),kappan(25),kappan(26))-magnesium ChEBI Chlorophyll ChEBI Chlorophyll a2 HMDB
Chemical Formula C55 H73 MgN4 O5 Average Molecular Mass 894.516 g/mol Monoisotopic Mass 893.543 g/mol CAS Registry Number 479-61-8 IUPAC Name magnesium(2+) (3R,21S,22S)-16-ethenyl-11-ethyl-3-(methoxycarbonyl)-12,17,21,26-tetramethyl-4-oxo-22-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)-7,23,24,25-tetraazahexacyclo[18.2.1.1^{5,8}.1^{10,13}.1^{15,18}.0^{2,6}]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-7,24-diide Traditional Name (5R,22S,23S)-17-ethenyl-12-ethyl-5-(methoxycarbonyl)-8,13,18,22-tetramethyl-6-oxo-23-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)-2,25lambda5,26lambda5,27-tetraaza-1-magnesanonacyclo[12.11.1.1^{1,16}.0^{2,9}.0^{3,7}.0^{4,24}.0^{11,26}.0^{21,25}.0^{19,27}]heptacosa-3,7,9,11(26),12,14,16,18,20,24-decaene-25,26-bis(ylium)-1,1-diuide SMILES [Mg++].[H]\C(COC(=O)CCC1C(C)C2=N\C\1=C1/C(C(=O)OC)C(=O)C3=C(C)\C(=C\C4=C(CC)C(C)=C([N-]4)\C=C4/N/C(=C\2)C(C)=C4C=C)N=C13)=C(/C)CCCC(C)CCCC(C)CCCC(C)C InChI Identifier InChI=1S/C55H74N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,26,28-33,37,41,51H,1,14-25,27H2,2-12H3,(H2,56,57,58,59,61);/q;+2/p-1/b34-26-; InChI Key SYHZSPMCAROBPW-NOEFFRSSSA-M 
