input word = C00053136

Metabolite InformationStructural formula
Name Cholestan-3beta-ol
Cholestanol
Formula C27H48O
Mw 388.37051615
CAS RN 80-97-7
C_ID C00053136
InChIKey QYIXCDOBOSTCEI-QCYZZNICSA-N
InChICode InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1
SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaePoaceaeTriticum aestivum Ref.
PlantaeSolanaceaeSolanum lycopersicum Ref.
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OrganismTriticum aestivum
ReferenceTang, H. et al., Plant Physiol. Biochem., 132, (2018), 18-32.