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Chlorophyll b

PropertiesImage
MNX_IDMNXM1108242 Image of MNXM1108242
referencekeggC:C05307
formulaC55H70MgN4O6
global charge0
mol weight907.492
InChIKeyNSMUHPMZFPKNMZ-IOBBVUIDSA-M
InChIInChI=1S/C55H71N4O6.Mg/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42;/h12,25,27-33,36,40,51H,1,13-24,26H2,2-11H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b34-25+;/t32-,33-,36+,40+,51?;/m1./s1
SMILESC=CC1=C2/C=C3\N=C(/C=C4/C(C)=C5C(=O)C(C(=O)OC)C6=C5N4[Mg]N2C(=C1C)/C=C1\N=C6[C@@H](CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]1C)C(CC)=C3C=O
MNX internals
InChI (mnx)InChI=1/C55H72N4O6.Mg/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42;/h12,25,27-33,36,40,51H,1,13-24,26H2,2-11H3,(H2,56,57,58,59,60,62);/q;+2/b34-25+;/t32-,33-,36+,40+,51?;/m1./s1 Image of MNXM1108242
SMILES (mnx)[CH2:1]=[CH:12][C:38]1=[C:35]([CH3:8])[C:42]2=[CH:27][C:43]3=[N:58][C:52](=[C:50]4[CH:51]([C:55](=[O:63])[O:64][CH3:11])[C:54](=[O:62])[C:49]5=[C:37]([CH3:10])[C:44](=[CH:28][C:46]6=[C:39]([CH2:13][CH3:2])[C:41](=[CH:30][OH:60])[C:47](=[NH+:57]6)[CH:29]=[C:45]1[N-:56]2)[N:59]=[C:53]54)[C@@H:40]([CH2:23][CH2:24][C:48](=[O:61])[O:65][CH2:26]/[CH:25]=[C:34](\[CH3:7])[CH2:22][CH2:16][CH2:21][C@H:33]([CH3:6])[CH2:20][CH2:15][CH2:19][C@H:32]([CH3:5])[CH2:18][CH2:14][CH2:17][CH:31]([CH3:3])[CH3:4])[C@@H:36]3[CH3:9].[Mg+2:66]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)11
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

kegg.compound:C05307
keggC:C05307
NSMUHPMZFPKNMZ-IOBBVUIDSA-M
Chlorophyll b

seed.compound:cpd03149
seedM:cpd03149
NSMUHPMZFPKNMZ-IOBBVUIDSA-M
Chlorophyll b
chlorophyll b

keggC:M_C05307
seedM:M_cpd03149
secondary/obsolete/fantasy identifier