CHEBI:63800 - 4-hydroxydebrisoquin

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ChEBI Name 4-hydroxydebrisoquin
ChEBI ID CHEBI:63800
Definition An isoquinoline that is 3,4-dihydroisoquinoline bearing amidino and hydroxy substituent at positions 2 and 4 respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C10H13N3O
Net Charge 0
Average Mass 191.22970
Monoisotopic Mass 191.10586
InChI InChI=1S/C10H13N3O/c11-10(12)13-5-7-3-1-2-4-8(7)9(14)6-13/h1-4,9,14H,5-6H2,(H3,11,12)
InChIKey AKFURXZANOMQBD-UHFFFAOYSA-N
SMILES NC(=N)N1CC(O)c2ccccc2C1
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.
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ChEBI Ontology
Outgoing 4-hydroxydebrisoquin (CHEBI:63800) has role metabolite (CHEBI:25212)
4-hydroxydebrisoquin (CHEBI:63800) is a carboxamidine (CHEBI:35359)
4-hydroxydebrisoquin (CHEBI:63800) is a isoquinolines (CHEBI:24922)
4-hydroxydebrisoquin (CHEBI:63800) is a secondary alcohol (CHEBI:35681)
IUPAC Name
4-hydroxy-3,4-dihydroisoquinoline-2(1H)-carboximidamide
Synonym Source
3,4-dihydro-4-hydroxy-2(1H)-Isoquinolinecarboximidamide HMDB
Manual Xref Database
HMDB0006468 HMDB
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Registry Numbers Types Sources
1533392 Reaxys Registry Number Reaxys
59333-79-8 CAS Registry Number ChemIDplus
Last Modified
23 October 2015