input word = C00061417

Metabolite InformationStructural formula
Name 1,25-Dihydroxyvitamin D
Formula C27H44O3
Mw 416.32904527
CAS RN 32222-06-3
C_ID C00061417
InChIKey GMRQFYUYWCNGIN-NKMMMXOESA-N
InChICode InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1
SMILES C=C1C(=CC=C2CCCC3(C)C2CCC3C(C)CCCC(C)(C)O)CC(O)CC1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum lycopersicum Ref.
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