CHEBI:36189 - spirosolane

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name spirosolane
ChEBI ID CHEBI:36189
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C27H45NO
Net Charge 0
Average Mass 399.65234
Monoisotopic Mass 399.35012
InChI InChI=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
InChIKey KOZCINYDCJVLDW-YOGGMVBGSA-N
SMILES [H][C@]12C[C@@]3([H])[C@]4([H])CCC5CCCC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)C1(CCC(C)CN1)O2
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing spirosolane (CHEBI:36189) is a alkaloid (CHEBI:22315)
spirosolane (CHEBI:36189) is a azaspiro compound (CHEBI:35624)
spirosolane (CHEBI:36189) is a steroid (CHEBI:35341)
spirosolane (CHEBI:36189) is a steroid alkaloid fundamental parent (CHEBI:38516)
Incoming tomatidane (CHEBI:36196) is a spirosolane (CHEBI:36189)
IUPAC Name
spirosolane
Synonym Source
tomatanine CBN
Registry Number Type Source
34471-97-1 CAS Registry Number ChemIDplus
Last Modified
13 April 2011