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 C=Cc1c(C)c2n3c1C=C1C(C)=C(CC)C4=[N+]1[Mg]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
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnacardiaceaeMangifera indica Ref.
PlantaeApiaceaeApium graveolens Ref.
PlantaeApocynaceaeCatharanthus roseus Ref.
PlantaeAraliaceaePanax ginseng Ref.
PlantaeAsteraceaeHelianthus annuus Ref.
PlantaeCelastraceaeTripterygium wilfordii Ref.
PlantaeCeratophyllaceaeCeratophyllum demersum Ref.
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeCruciferaeBrassica oleracea var. italica Ref.
PlantaeCruciferaeCapsella bursa-pastoris Ref.
PlantaeCruciferaeRaphanus sativus Ref.
PlantaeLabiataeOcimum basilicum Ref.
PlantaePoaceaeOryza sativa Ref.
PlantaePoaceaeTriticum aestivum Ref.
PlantaeRubiaceaeCoffea arabica Ref.
PlantaeRubiaceaeCoffea canephora Ref.
PlantaeRutaceaeCitrus limon Ref.
PlantaeSolanaceaeCapsicum annuum Ref.
PlantaeSolanaceaeSolanum lycopersicum Ref.
PlantaeSolanaceaeSolanum tuberosum Ref.
--Caffea sp. Ref.
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