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CHEBI:166999 - tomatidine(1+)

ChEBI IDCHEBI:166999
ChEBI Nametomatidine(1+)
Stars
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC27H46NO2
Net Charge+1
Average Mass416.670
Monoisotopic Mass416.35231
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])C[C@]3([H])O[C@@]5(CC[C@H](C)C[NH2+]5)[C@@H](C)[C@]43[H])[C@@]1(C)CC[C@H](O)C2
InChIInChI=1S/C27H45NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28-29H,5-15H2,1-4H3/p+1/t16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1
InChIKeyXYNPYHXGMWJBLV-VXPJTDKGSA-O
ChEBI Ontology
Outgoing Relation(s)
tomatidine(1+) (CHEBI:166999) is a secondary ammonium ion (CHEBI:137419)
tomatidine(1+) (CHEBI:166999) is conjugate acid of tomatidine (CHEBI:9629)
Incoming Relation(s)
tomatidine (CHEBI:9629) is conjugate base of tomatidine(1+) (CHEBI:166999)
UniProt Name  Source
tomatidineUniProt
Citations