CHEBI:169477 - y-Morphine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 y-Morphine
ChEBI ID CHEBI:169477
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C34H36N2O6
Net Charge 0
Average Mass 568.670
Monoisotopic Mass 568.25734
InChI InChI=1S/C34H36N2O6/c1-35-9-7-33-19-3-5-23(37)31(33)41-29-25(33)15(13-21(19)35)11-17(27(29)39)18-12-16-14-22-20-4-6-24(38)32-34(20,8-10-36(22)2)26(16)30(42-32)28(18)40/h3-6,11-12,19-24,31-32,37-40H,7-10,13-14H2,1-2H3
InChIKey FOJYFDFNGPRXDR-UHFFFAOYSA-N
SMILES O1C2C34C(C(N(CC3)C)CC=5C4=C1C(O)=C(C=6C=C7C=8C9%10C(C(N(CC9)C)C7)C=CC(O)C%10OC8C6O)C5)C=CC2O
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue 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 y-Morphine (CHEBI:169477) is a morphinane alkaloid (CHEBI:25418)
IUPAC Name
10-(7,9-dihydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzouro[3,2-e]isoquinolin-10-yl)-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzouro[3,2-e]isoquinoline-7,9-diol
Manual Xrefs Databases
4590027 ChemSpider
HMDB0031751 HMDB
View more database links