input word = C00041217

Metabolite InformationStructural formula
Name Vitamin D3
Cholecalciferol
Formula C27H44O
Mw 384.33921603
CAS RN 67-97-0
C_ID C00041217 ,
InChIKey QYSXJUFSXHHAJI-YLPAGVPJNA-N
InChICode InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1
SMILES C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeCucurbitaceaeCucurbita pepo Ref.
PlantaeFabaceaeGlycine max Ref.
PlantaeSolanaceaeSolanum lycopersicum Ref.
PlantaeSolanaceaeSolanum melongena Ref.
PlantaeSolanaceaeSolanum tuberosum Ref.
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