input word = C00049351

Metabolite InformationStructural formula
Name 5alpha-Cholestane-3beta,6beta,8,15alpha,16beta,26-hexaol
Formula C27H48O6
Mw 468.34508927
CAS RN 123750-23-2
C_ID C00049351 ,
InChIKey JBQJBUSSZCBEON-NUXWPLPTNA-N
InChICode InChI=1S/C27H48O6/c1-15(14-28)6-5-7-16(2)21-22(31)23(32)24-26(21,4)11-9-20-25(3)10-8-17(29)12-18(25)19(30)13-27(20,24)33/h15-24,28-33H,5-14H2,1-4H3/t15-,16-,17+,18-,19-,20-,21+,22-,23+,24-,25+,26-,27+/m1/s1
SMILES [C@]12([C@H]([C@]3([C@H](CC1)[C@@]1([C@@H]([C@@H](C3)O)C[C@H](CC1)O)C)O)[C@H]([C@@H]([C@@H]2[C@H](C)CCC[C@H](CO)C)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaGoniasteridaeMediaster murrayi Ref.
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