Identification

PhytoHub ID
PHUB001475
Name
5-Hydroxyindole acetic acid
Synonyms
  • 5-HIAA
  • 5-Hydroxyindole-3-acetic acid
  • 5-hydroxyindoleacetic acid
CAS Number
Not Available
Average Mass
191.1834
Monoisotopic Mass
191.058243159
Chemical Formula
C10H9NO3
IUPAC Name
hydroxyindoleacetic acid
InChI Key
DUUGKQCEGZLZNO-UHFFFAOYSA-N
InChI Identifier
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)
SMILES
OC(=O)CC1=CNC2=CC=C(O)C=C12
Structure

Calculated Properties

Solubility (ALOGPS)
1.80e+00 g/l
LogS (ALOGPS)
-2.03
LogP (ALOGPS)
1.28
Hydrogen Acceptors
3
Hydrogen Donors
3
Rotatable Bond Count
2
Polar Surface Area
73.32
Refractivity
50.433
Polarizability
18.70645401922691
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-5.50801830576937
pKa (strongest acidic)
4.215990424188327
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Precursor Taxonomy

PrecursorFamilyClassSub-class
SerotoninN-containing compoundsAminesNot AvailableShow Precursor

Spectra

No spectra information available

Food Sources

PrecursorFood SourceFood Source Group
SerotoninBananaFruit, Tropical fruits PublicationsShow
SerotoninCherry tomatoVegetables, Fruit vegetables PublicationsShow
SerotoninChinese cabbageVegetables, Cabbages PublicationsShow
SerotoninEggplantVegetables, Fruit vegetables PublicationsShow
SerotoninGrapeFruit, Berries PublicationsShow
SerotoninHot chili (Capsicum annuum, C. frutescens)Vegetables, Fruit vegetables PublicationsShow
SerotoninKiwiFruit, Tropical fruits PublicationsShow
SerotoninPeachFruit, Drupes PublicationsShow
SerotoninPineappleFruit, Tropical fruits PublicationsShow
SerotoninSpinachVegetables, Leaf vegetables PublicationsShow
SerotoninTomatoVegetables, Fruit vegetables PublicationsShow

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Serotonin 5-Hydroxyindole acetic acidhumanblood, urineC10H9NO3191.058243159 Publications
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