CHEBI:1445 - 3-Acetylmorphine

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ChEBI Name 3-Acetylmorphine
ChEBI ID CHEBI:1445
Stars This entity has been manually annotated by a third party.
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Formula C19H21NO4
Net Charge 0
Average Mass 327.375
Monoisotopic Mass 327.14706
InChI InChI=1S/C19H21NO4/c1-10(21)23-15-6-3-11-9-13-12-4-5-14(22)18-19(12,7-8-20(13)2)16(11)17(15)24-18/h3-6,12-14,18,22H,7-9H2,1-2H3/t12-,13+,14-,18-,19-/m0/s1
InChIKey GMLREHXYJDLZOU-LEPYJNQMSA-N
SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5OC(C)=O
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 )
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ChEBI Ontology
Outgoing 3-Acetylmorphine (CHEBI:1445) is a morphinane alkaloid (CHEBI:25418)
Synonyms Sources
3-Acetylmorphine KEGG COMPOUND
O(3)-Monoacetylmorphine KEGG COMPOUND
Manual Xref Database
C11778 KEGG COMPOUND
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Registry Number Type Source
5140-28-3 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014