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CHEBI:36196 - tomatidane

ChEBI IDCHEBI:36196
ChEBI Nametomatidane
Stars
Last Modified22 January 2013
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC27H45NO
Net Charge0
Average Mass399.663
Monoisotopic Mass399.35012
SMILES[H][C@@]12CCC3CCCC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])C[C@]2([H])O[C@@]3(CC[C@H](C)CN3)[C@@H](C)[C@]12[H]
InChIInChI=1S/C27H45NO/c1-17-10-14-27(28-16-17)18(2)24-23(29-27)15-22-20-9-8-19-7-5-6-12-25(19,3)21(20)11-13-26(22,24)4/h17-24,28H,5-16H2,1-4H3/t17-,18-,19?,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1
InChIKeyKOZCINYDCJVLDW-LWXZRZDISA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
tomatidane (CHEBI:36196) is a spirosolane (CHEBI:36189)
Incoming Relation(s)
tomatidine (CHEBI:9629) has parent hydride tomatidane (CHEBI:36196)
IUPAC Name 
(22S,25S)-spirosolane
Synonym  Source
(22S,25S)-tomatanineIUBMB