EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:6610 - lythramine

ChEBI IDCHEBI:6610
ChEBI Namelythramine
Stars
DefinitionA piperidine alkaloid that is lythranidine with the hydroxy group C-10 esterified into an acetate and a methylene bridge formed between the hydroxy at C-9 and the piperidine nitrogen.
Last Modified28 July 2014
DownloadsMolfile
FormulaC29H37NO5
Net Charge0
Average Mass479.617
Monoisotopic Mass479.26717
SMILES[H][C@]12CCc3ccc(O)c(c3)-c3cc(ccc3OC)CC[C@H](OC(C)=O)C[C@@]3([H])CCC[C@]([H])(C1)N3CO2
InChIInChI=1S/C29H37NO5/c1-19(31)35-25-11-7-21-9-13-29(33-2)27(15-21)26-14-20(8-12-28(26)32)6-10-24-16-22-4-3-5-23(17-25)30(22)18-34-24/h8-9,12-15,22-25,32H,3-7,10-11,16-18H2,1-2H3/t22-,23-,24+,25+/m1/s1
InChIKeyYODZWLPSGSZPHZ-NGSHPTGOSA-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)
lythramine (CHEBI:6610) has functional parent lythranidine (CHEBI:36284)
lythramine (CHEBI:6610) is a piperidine alkaloid (CHEBI:26147)
IUPAC Name 
(9S,13R,17R,19S)-3-hydroxy-25-methoxy-10-oxa-12-azapentacyclo[20.3.1.12,6.19,13.012,17]octacosa-1(26),2(28),3,5,22,24-hexaen-19-yl acetate
Synonym  Source
LythramineKEGG COMPOUND
Manual XrefsDatabases
C10604KEGG COMPOUND
C00002349KNApSAcK
Registry NumbersSources
Reaxys:1190597Reaxys
CAS:32420-56-7KEGG COMPOUND
Citations