input word = C00051950

Metabolite InformationStructural formula
Name 22,26-Dihydroxycholesterol
Formula C27H46O3
Mw 418.34469533
CAS RN
C_ID C00051950
InChIKey
InChICode InChI=1S/C27H46O3/c1-17(16-28)5-10-25(30)18(2)22-8-9-23-21-7-6-19-15-20(29)11-13-26(19,3)24(21)12-14-27(22,23)4/h6,17-18,20-25,28-30H,5,7-16H2,1-4H3/t17-,18+,20+,21?,22?,23?,24?,25-,26+,27-/m1/s1
SMILES C12=CCC3C([C@]1(CC[C@@H](C2)O)C)CC[C@]1(C3CCC1[C@@H]([C@H](O)CC[C@@H](C)CO)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum lycopersicum Ref.
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