CHEBI:5685 - Heterocodeine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Heterocodeine
ChEBI ID CHEBI:5685
Stars This entity has been manually annotated by a third party.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C18H21NO3
Net Charge 0
Average Mass 299.365
Monoisotopic Mass 299.15214
InChI InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-6-14(21-2)17(18)22-16-13(20)5-3-10(15(16)18)9-12(11)19/h3-6,11-12,14,17,20H,7-9H2,1-2H3/t11-,12+,14-,17-,18-/m0/s1
InChIKey FNAHUZTWOVOCTL-XSSYPUMDSA-N
SMILES CO[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45
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 Heterocodeine (CHEBI:5685) is a morphinane alkaloid (CHEBI:25418)
Synonym Source
Heterocodeine KEGG COMPOUND
Manual Xref Database
C11779 KEGG COMPOUND
View more database links
Registry Number Type Source
639-47-4 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014