input word = C00001528

Metabolite InformationStructural formula
Name Chlorophyll a
Formula C55H72MgN4O5
Mw 892.53531331
CAS RN 479-61-8
C_ID C00001528 ,
InChIKey VIQFHHZSLDFWDU-XLLNUUMUNA-M
InChICode 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;+4/p-1/b34-26+;/t32-,33-,37-,41-,51-;/m1./s1
SMILES c12c(c(c3n1[Mg]14[N+]5=C([C@@H]([C@H](C5=C3)C)CCC(=O)OC/C=C(\C)/CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C3=c5n1c(=CC1=[N+]4C(=C2)C(=C1CC)C)c(c5C(=O)[C@@H]3C(=O)OC)C)C)C=C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnacardiaceaeMangifera indica Ref.
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeCruciferaeBrassica oleracea var. italica Ref.
PlantaeRubiaceaeCoffea arabica Ref.
PlantaeRubiaceaeCoffea canephora Ref.
PlantaeSolanaceaeSolanum tuberosum Ref.
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