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CHEBI:195183 - palmitoylstigmasterol

Default Structure
ChEBI IDCHEBI:195183
ChEBI Namepalmitoylstigmasterol
Stars
Submittermwilliams
DownloadsMolfile
FormulaC45H78O2
Net Charge0
Average Mass651.117
Monoisotopic Mass650.60018
SMILESCCCCCCCCCCCCCCCC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)/C=C/C(CC)C(C)C)CCC32)C1
InChIInChI=1S/C45H78O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-43(46)47-38-29-31-44(6)37(33-38)25-26-39-41-28-27-40(45(41,7)32-30-42(39)44)35(5)23-24-36(9-2)34(3)4/h23-25,34-36,38-42H,8-22,26-33H2,1-7H3/b24-23+
InChIKeyOHLDETMXEXJUDZ-WCWDXBQESA-N
ChEBI Ontology
Outgoing Relation(s)
palmitoylstigmasterol (CHEBI:195183) is a triterpenoid (CHEBI:36615)
Manual XrefsDatabases
HMDB0034420HMDB