CHEBI:194513 - neomorphine(1+)

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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 neomorphine(1+)
ChEBI ID CHEBI:194513
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C17H20NO3
Net Charge +1
Average Mass 286.350
Monoisotopic Mass 286.14377
InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-4,11,13,16,19-20H,5-8H2,1H3/p+1/t11-,13+,16+,17+/m1/s1
InChIKey DDLQMRQOVJKVNB-DTJGQCLQSA-O
SMILES [C@@]123C=4C5=C(C=CC4C[C@H](C1=CC[C@@H]([C@@H]2O5)O)[NH+](C)CC3)O
ChEBI Ontology
Outgoing neomorphine(1+) (CHEBI:194513) is a ammonium ion derivative (CHEBI:35274)
Synonym Source
neomorphine UniProt
Manual Xref Database
CPD-26153 MetaCyc accession
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Citation Waiting for Citations Type Source
29779229 PubMed citation SUBMITTER