input word = C00040805

Metabolite InformationStructural formula
Name 25-Hydroxyvitamin D3
Formula C27H44O2
Mw 400.33413065
CAS RN 19356-17-3
C_ID C00040805 ,
InChIKey JWUBBDSIWDLEOM-KKHCPPHUNA-N
InChICode InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1
SMILES C1CC[C@]2([C@H](/C/1=C/C=C\1/C[C@H](CCC1=C)O)CC[C@@H]2[C@@H](CCCC(C)(C)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeCucurbita pepo Ref.
PlantaeSolanaceaeSolanum lycopersicum Ref.
PlantaeSolanaceaeSolanum melongena Ref.
PlantaeSolanaceaeSolanum tuberosum Ref.
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OrganismSolanum tuberosum
ReferenceAburjai,Phytochem.,49,(1998),2497