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chlorophyll a

MNXM46466 is deprecated and here replaced by MNXM1108239
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1108239 Image of MNXM1108239
referencechebi:18230
formulaC55H72MgN4O5
global charge0
mol weight893.509
InChIKeyATNHDLDRLWWWCB-AENOIHSZSA-M
InChIInChI=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
SMILESC=CC1=C2C=C3C(C)=C(CC)C4=[N+]3[Mg-2]35N2C(=C1C)C=C1[C@@H](C)[C@H](CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=[N+]13)C1=C2C(=C(C)C(=C4)N25)C(=O)[C@@H]1C(=O)OC
MNX internals
InChI (mnx)InChI=1/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/b34-26+;/t32-,33-,37+,41+,51-;/m1./s1 Image of MNXM1108239
SMILES (mnx)[CH2:1]=[CH:13][C:39]1=[C:35]([CH3:8])[C:42]2=[CH:28][C:44]3=[N:58][C:52](=[C:50]4[C@@H:51]([C:55](=[O:62])[O:63][CH3:12])[C:54](=[O:61])[C:49]5=[C:38]([CH3:11])[C:45](=[CH:30][C:47]6=[C:40]([CH2:14][CH3:2])[C:36]([CH3:9])=[C:43]([CH:29]=[C:46]1[NH2+:56]2)[N-:57]6)[N:59]=[C:53]54)[C@@H:41]([CH2:24][CH2:25][C:48](=[O:60])[O:64][CH2:27]/[CH:26]=[C:34](\[CH3:7])[CH2:23][CH2:17][CH2:22][C@H:33]([CH3:6])[CH2:21][CH2:16][CH2:20][C@H:32]([CH3:5])[CH2:19][CH2:15][CH2:18][CH:31]([CH3:3])[CH3:4])[C@@H:37]3[CH3:10].[Mg+2:65]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)20
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:18230
chebi:18230
ATNHDLDRLWWWCB-AENOIHSZSA-M 		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
ATNHDLDRLWWWCB-AENOIHSZSA-M 		Chlorophyll a
hmdb:HMDB0038578
ATNHDLDRLWWWCB-AENOIHSZSA-M 		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
ATNHDLDRLWWWCB-AENOIHSZSA-M 		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