Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:63800 - 4-hydroxydebrisoquin
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
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
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
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.
View more via ChEBI Ontology
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(1
H
)-carboximidamide
Synonym
Source
3,4-dihydro-4-hydroxy-2(1H)-Isoquinolinecarboximidamide
HMDB
Manual Xref
Database
HMDB0006468
HMDB
View more database links
Registry Numbers
Types
Sources
1533392
Reaxys Registry Number
Reaxys
59333-79-8
CAS Registry Number
ChemIDplus
Last Modified
23 October 2015