input word = C00054922

Metabolite InformationStructural formula
Name 3,26-Dihydroxycholest-5-ene-16,22-dione
Formula C27H42O4
Mw 430.30830983
CAS RN 468-99-5
C_ID C00054922
InChIKey GDKGOXUWEBGZBY-WQTURIIHSA-N
InChICode InChI=1S/C27H42O4/c1-16(15-28)5-8-23(30)17(2)25-24(31)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-22,25,28-29H,5,7-15H2,1-4H3/t16-,17-,19+,20-,21+,22+,25+,26+,27+/m1/s1
SMILES C[C@@H](CO)CCC(=O)[C@@H](C)[C@H]1C(=O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZygophyllaceaeBalanites aegyptiaca Ref.
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