MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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debrisoquin

	Properties	Image
MNX_ID	MNXM48845
reference	chebi:34665
formula	C₁₀H₁₃N₃
global charge	0
mol weight	175.235
InChIKey	JWPGJSVJDAJRLW-UHFFFAOYSA-N
InChI	InChI=1S/C10H13N3/c11-10(12)13-6-5-8-3-1-2-4-9(8)7-13/h1-4H,5-7H2,(H3,11,12)
SMILES	N=C(N)N1CCC2=C(C=CC=C2)C1

MNX internals

InChI (mnx)	InChI=1/C10H13N3/c11-10(12)13-6-5-8-3-1-2-4-9(8)7-13/h1-4H,5-7H2,(H3,11,12)
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:9]2[CH2:7][N:13]([C:10](=[NH:11])[NH2:12])[CH2:6][CH2:5][C:8]2=[CH:3]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	3

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-211993 reactomeM:R-ALL-211993 CHEBI:34665 chebi:34665 JWPGJSVJDAJRLW-UHFFFAOYSA-N	debrisoquin 3,4-dihydroisoquinoline-2(1H)-carboximidamide Debrisochinum Debrisoquin Debrisoquine Isocaramidine debrisoquina debrisoquine debrisoquinum
sabiork.compound:21405 sabiorkM:21405 JWPGJSVJDAJRLW-UHFFFAOYSA-N	Debrisoquin
bigg.metabolite:debrisoquine biggM:debrisoquine JWPGJSVJDAJRLW-UHFFFAOYSA-O	Debrisoquine c
hmdb:HMDB0006543 JWPGJSVJDAJRLW-UHFFFAOYSA-N	Debrisoquine 1,2,3,4-tetrahydroisoquinoline-2-carboximidamide 3,4-dihydro-2(1H)-Isoquinolinecarboximidamide Debrisochinum Debrisoquin Debrisoquin sulfate Debrisoquin sulphate Debrisoquina Debrisoquinum Isocaramidine Tendor debrisoquin
seed.compound:cpd09492 seedM:cpd09492 kegg.compound:C13650 keggC:C13650 JWPGJSVJDAJRLW-UHFFFAOYSA-N JWPGJSVJDAJRLW-UHFFFAOYSA-O	Debrisoquin Debrisoquine
vmhM:debrisoquine vmhmetabolite:debrisoquine JWPGJSVJDAJRLW-UHFFFAOYSA-O	debrisoquine 1,2,3,4-tetrahydroisoquinoline-2-carboximidamide
hmdb:HMDB06543 biggM:M_debrisoquine keggC:M_C13650 seedM:M_cpd09492 vmhM:M_debrisoquine	secondary/obsolete/fantasy identifier