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

Feedback

(5-hydroxyindol-3-yl)acetate

	Properties	Image
MNX_ID	MNXM732179
reference	chebi:62622
formula	C₁₀H₈NO₃
global charge	-1
mol weight	190.178
InChIKey	DUUGKQCEGZLZNO-UHFFFAOYSA-M
InChI	InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14)/p-1
SMILES	O=C([O-])CC1=CNC2=C1C=C(O)C=C2

MNX internals

InChI (mnx)	InChI=1/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14)
SMILES (mnx)	[CH:1]1=[CH:2][C:9]2=[C:8]([CH:4]=[C:7]1[OH:12])[C:6]([CH2:3][C:10](=[O:13])[OH:14])=[CH:5][NH:11]2

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	7

Similar chemical compounds in external resources
Identifier	Description
CHEBI:62622 chebi:62622 DUUGKQCEGZLZNO-UHFFFAOYSA-M	(5-hydroxyindol-3-yl)acetate (5-hydroxy-1H-indol-3-yl)acetate (5-hydroxyindol-3-yl)acetate(1-) 5-hydroxy-3-indole acetic acid anion 5-hydroxyindoleacetate(1-)
reactome:R-ALL-380593 reactomeM:R-ALL-380593 CHEBI:27823 chebi:27823 DUUGKQCEGZLZNO-UHFFFAOYSA-N	(5-hydroxyindol-3-yl)acetic acid (5-hydroxy-1H-indol-3-yl)acetic acid 5-HIAA 5-Hydroxy-1H-indole-3-acetic acid 5-Hydroxyindol-3-ylacetic acid 5-Hydroxyindole-3-acetic acid 5-Hydroxyindoleacetic acid
bigg.metabolite:5hoxindoa biggM:5hoxindoa sabiork.compound:8022 sabiorkM:8022 kegg.compound:C05635 keggC:C05635 DUUGKQCEGZLZNO-UHFFFAOYSA-M DUUGKQCEGZLZNO-UHFFFAOYSA-N	5-Hydroxyindoleacetate
seed.compound:cpd03346 seedM:cpd03346 DUUGKQCEGZLZNO-UHFFFAOYSA-M	5-Hydroxyindoleacetate 1H-Indole-3-acetic acid, 5-hydroxy- 5-hydroxyindole acetate 5-hydroxyindoleacetic acid
vmhM:5hoxindoa vmhmetabolite:5hoxindoa DUUGKQCEGZLZNO-UHFFFAOYSA-M	5-Hydroxyindoleacetate 2-(5-hydroxy-1H-indol-3-yl)acetic acid
hmdb:HMDB0000763 DUUGKQCEGZLZNO-UHFFFAOYSA-N	5-Hydroxyindoleacetic acid 2-(5-hydroxy-1H-indol-3-yl)acetic acid 5 Hydroxy 3 indoleacetic acid 5 Hydroxyindolamine acetic acid 5-HIAA 5-Hydroxy-1H-indole-3-acetate 5-Hydroxy-1H-indole-3-acetic acid 5-Hydroxy-3-indoleacetic acid 5-Hydroxy-3-indolylacetate 5-Hydroxy-iaa 5-Hydroxy-indole-3-acetate 5-Hydroxy-indole-3-acetic acid 5-Hydroxyheteroauxin 5-Hydroxyindol-3-ylacetate 5-Hydroxyindol-3-ylacetic acid 5-Hydroxyindolamine acetic acid 5-Hydroxyindole acetate 5-Hydroxyindole-3-acetate 5-Hydroxyindole-3-acetic acid 5-Hydroxyindoleacetate 5-Oxyindoleacetate 5-Oxyindoleacetic acid 5HIAA Acetic acid, 5-hydroxyindolamine Acid, 5-hydroxy-3-indoleacetic Acid, 5-hydroxyindolamine acetic Acid, hydroxyindoleacetic Hydroxyindoleacetate Hydroxyindoleacetic acid hydroxyindoleacetic acid
metacyc.compound:5-HYDROXYINDOLE_ACETATE metacycM:5-HYDROXYINDOLE_ACETATE DUUGKQCEGZLZNO-UHFFFAOYSA-M	5-hydroxyindole acetate 1H-Indole-3-acetic acid, 5-hydroxy- 5-hydroxyindoleacetic acid
envipath:...ac0ea62a5e13 envipathM:...ac0ea62a5e13 DUUGKQCEGZLZNO-UHFFFAOYSA-M	compound 0226177
hmdb:HMDB00763 chebi:20585 chebi:2071 biggM:M_5hoxindoa keggC:M_C05635 seedM:M_cpd03346 vmhM:M_5hoxindoa	secondary/obsolete/fantasy identifier