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chlorophyll a

MNXM46466 is deprecated and here replaced by MNXM1108239
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1108239

	#reac
in my sandbox	0
in MNXref (generic)	21
in models (compartimentalized)	3

formula

C₅₅H₇₂MgN₄O₅

charge

mass

892.53531

reference

chebi:18230

InChIKey

ATNHDLDRLWWWCB-AENOIHSZSA-M

InChI

InChI=1S/C55H73N4O5.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,(H-,56,57,58,59,61);/q-1;+2/p-1/b34-26+;/t32-,33-,37+,41+,51-;/m1./s1

SMILES

C=Cc1c(C)c2n3c1C=C1C(C)=C(CC)C4=[N+]1[Mg-2]31n3c(c(C)c5c3=C(C3=[N+]1C(=C2)[C@@H](C)[C@@H]3CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H](C(=O)OC)C5=O)=C4

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:18230 chebi:18230	chlorophyll a (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 CHLOROPHYLL A Chlorophyll Chlorophyll a [(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl (2(2)R,17S,18S)-7-ethyl-2(1),2(2),17,18-tetrahydro-2(2)-(methoxycarbonyl)-3,8,13,17-tetramethyl-2(1)-oxo-12-ethenylcyclopenta[at]porphyrin-18-propanoato(2-)]magnesium
kegg.compound:C05306 keggC:C05306	Chlorophyll a
hmdb:HMDB0038578	Chlorophyll a (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 (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 Chlorophyll Chlorophyll a2
seed.compound:cpd03148 seedM:cpd03148	Chlorophyll a chlorophyll a chlorophyll a (phytol)
hmdb:HMDB38578 chebi:13974 chebi:23157 chebi:3631 chebi:48807 keggC:M_C05306 seedM:M_cpd03148	secondary/obsolete/fantasy identifier