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CHEBI:166814 - Demissidine

ChEBI IDCHEBI:166814
ChEBI NameDemissidine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H45NO
Net Charge0
Average Mass399.663
Monoisotopic Mass399.35012
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])C[C@]3([H])N5C[C@@H](C)CC[C@]5([H])[C@@H](C)[C@]43[H])[C@@]1(C)CC[C@H](O)C2
InChIInChI=1S/C27H45NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h16-25,29H,5-15H2,1-4H3/t16-,17+,18-,19-,20+,21-,22-,23+,24-,25-,26-,27-/m0/s1
InChIKeyJALVTHFTYRPDMB-HRRTYWNUSA-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)
Demissidine (CHEBI:166814) is a alkaloid (CHEBI:22315)
Demissidine (CHEBI:166814) is a organic heteropolycyclic compound (CHEBI:38166)
Demissidine (CHEBI:166814) is a steroid (CHEBI:35341)
IUPAC Name 
(1S,2R,5S,7S,10S,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracosan-7-ol
Manual XrefsDatabases
LMST01150001LIPID MAPS
91607ChemSpider
Registry NumbersSources
CAS:474-08-8ChemIDplus