CHEBI:177689 - Pumiliotoxin 251D

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Pumiliotoxin 251D
ChEBI ID CHEBI:177689
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H29NO
Net Charge 0
Average Mass 251.414
Monoisotopic Mass 251.22491
InChI InChI=1S/C16H29NO/c1-4-5-7-13(2)10-14-11-16(3,18)15-8-6-9-17(15)12-14/h10,13,15,18H,4-9,11-12H2,1-3H3/b14-10-/t13-,15+,16+/m1/s1
InChIKey OKTQTXDNHCOLHT-AJKPHIATSA-N
SMILES O[C@@]1([C@]2(N(CCC2)C\C(\C1)=C/[C@@H](CCCC)C)[H])C
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in sausage (ENVO:00002166). See: MetaboLights Study
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 Pumiliotoxin 251D (CHEBI:177689) is a alkaloid (CHEBI:22315)
IUPAC Name
(6Z,8S,8aS)-8-methyl-6-[(2R)-2-methylhexylidene]-1,2,3,5,7,8a-hexahydroindolizin-8-ol
Manual Xrefs Databases
4944741 ChemSpider
C20031 KEGG COMPOUND
View more database links
Registry Number Type Source
73376-35-9 CAS Registry Number ChemIDplus