CHEBI:177440 - naltriben

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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 naltriben
ChEBI ID CHEBI:177440
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H25NO4
Net Charge 0
Average Mass 415.489
Monoisotopic Mass 415.17836
InChI InChI=1S/C26H25NO4/c28-18-8-7-15-11-20-26(29)12-17-16-3-1-2-4-19(16)30-22(17)24-25(26,21(15)23(18)31-24)9-10-27(20)13-14-5-6-14/h1-4,7-8,14,20,24,28-29H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1
InChIKey ZHVWWEYETMPAMX-IFKAHUTRSA-N
SMILES O1[C@@]2([C@]34[C@](O)([C@](N(CC3)CC5CC5)(CC6=C4C1=C(O)C=C6)[H])CC7=C2OC=8C7=CC=CC8)[H]
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 naltriben (CHEBI:177440) is a morphinane alkaloid (CHEBI:25418)
IUPAC Name
(1S,2S,13R,21R)-22-(cyclopropylmethyl)-11,14-dioxa-22-azaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaene-2,16-diol
Manual Xrefs Databases
4589081 ChemSpider
C20166 KEGG COMPOUND
View more database links
Registry Number Type Source
111555-58-9 CAS Registry Number ChemIDplus