EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:184086 - Peimisine

ChEBI IDCHEBI:184086
ChEBI NamePeimisine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H41NO3
Net Charge0
Average Mass427.629
Monoisotopic Mass427.30864
SMILES[H][C@]12CC3=C(C)[C@]4(CC[C@@]3([H])[C@]1([H])CC(=O)[C@@]1([H])C[C@@H](O)CC[C@]21C)O[C@]1([H])C[C@H](C)CN[C@@]1([H])[C@H]4C
InChIInChI=1S/C27H41NO3/c1-14-9-24-25(28-13-14)16(3)27(31-24)8-6-18-19(15(27)2)11-21-20(18)12-23(30)22-10-17(29)5-7-26(21,22)4/h14,16-18,20-22,24-25,28-29H,5-13H2,1-4H3/t14-,16+,17-,18+,20-,21-,22+,24+,25-,26+,27-/m0/s1
InChIKeyKYELXPJVGNZIGC-GKFGJCLESA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
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)
Peimisine (CHEBI:184086) is a alkaloid (CHEBI:22315)
IUPAC Name 
(3S,3'R,3'aS,4aS,6'S,6aR,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,4a,6,6a,6b,7,8,11,11a-dodecahydrobenzo[a]luorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-uro[3,2-b]pyridine]-5-one
Manual XrefsDatabases
141684ChemSpider