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

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(5-hydroxyindol-3-yl)acetaldehyde

	Properties	Image
MNX_ID	MNXM1057
reference	chebi:50157
formula	C₁₀H₉NO₂
global charge	0
mol weight	175.187
InChIKey	OBFAPCIUSYHFIE-UHFFFAOYSA-N
InChI	InChI=1S/C10H9NO2/c12-4-3-7-6-11-10-2-1-8(13)5-9(7)10/h1-2,4-6,11,13H,3H2
SMILES	O=CCC1=CNC2=CC=C(O)C=C12

MNX internals

InChI (mnx)	InChI=1/C10H9NO2/c12-4-3-7-6-11-10-2-1-8(13)5-9(7)10/h1-2,4-6,11,13H,3H2
SMILES (mnx)	[CH:1]1=[CH:2][C:10]2=[C:9]([CH:5]=[C:8]1[OH:13])[C:7]([CH2:3][CH:4]=[O:12])=[CH:6][NH:11]2

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	8

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-380598 reactomeM:R-ALL-380598 reactome:R-ALL-500604 reactomeM:R-ALL-500604 CHEBI:50157 chebi:50157 OBFAPCIUSYHFIE-UHFFFAOYSA-N	(5-hydroxyindol-3-yl)acetaldehyde (5-hydroxy-1H-indol-3-yl)acetaldehyde 5-Hial 5-Hydroxyindole-3-acetaldehyde 5-Hydroxyindoleacetaldehyde
vmhM:5hoxindact vmhmetabolite:5hoxindact OBFAPCIUSYHFIE-UHFFFAOYSA-N	(5-hydroxyindol-3-yl)acetaldehyde 2-(5-hydroxy-1H-indol-3-yl)acetaldehyde
bigg.metabolite:5hoxindact biggM:5hoxindact sabiork.compound:8021 sabiorkM:8021 kegg.compound:C05634 keggC:C05634 OBFAPCIUSYHFIE-UHFFFAOYSA-N	5-Hydroxyindoleacetaldehyde
hmdb:HMDB0004073 OBFAPCIUSYHFIE-UHFFFAOYSA-N	5-Hydroxyindoleacetaldehyde (5-Hydroxy-1H-indol-3-yl)acetaldehyde (5-Hydroxyindol-3-yl)acetaldehyde 2-(5-hydroxy-1H-indol-3-yl)acetaldehyde 5-Hial 5-Hydroxy-1H-indole-3-acetaldehyde 5-Hydroxyindole-3-acetaldehyde 5-Hydroxytryptaldehyde Hydroxyindoleacetaldehyde hydroxyindoleacetaldehyde
seed.compound:cpd03345 seedM:cpd03345 OBFAPCIUSYHFIE-UHFFFAOYSA-N	5-Hydroxyindoleacetaldehyde 5-hydroxyindole acetaldehyde
metacyc.compound:5-HYDROXYINDOLE_ACETALDEHYDE metacycM:5-HYDROXYINDOLE_ACETALDEHYDE OBFAPCIUSYHFIE-UHFFFAOYSA-N	5-hydroxyindole acetaldehyde
envipath:...3ff82e0e86e4 envipathM:...3ff82e0e86e4 OBFAPCIUSYHFIE-UHFFFAOYSA-N	compound 0226162
hmdb:HMDB04073 chebi:20583 chebi:2070 biggM:M_5hoxindact keggC:M_C05634 seedM:M_cpd03345 vmhM:M_5hoxindact	secondary/obsolete/fantasy identifier