Hydroxyindoleacetic Acid
PubChem CID: 1826
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| Compound Synonyms | 5-Hydroxyindole-3-acetic acid, 54-16-0, 2-(5-hydroxy-1H-indol-3-yl)acetic acid, 5-HIAA, (5-Hydroxy-1H-indol-3-yl)acetic acid, 5-Hydroxyindoleacetic acid, 5-Hydroxyindolacetic acid, 5-Hydroxyheteroauxin, Hydroxyindoleacetic acid, 1321-73-9, 1H-Indole-3-acetic acid, 5-hydroxy-, 5-Oxyindoleacetic acid, 5-Hydroxy-IAA, 5-Hydroxyindol-3-ylacetic acid, 5-Hydroxy-3-indoleacetic acid, 5-Hydroxyindolylacetic acid, 5-Hydroxy-1H-indole-3-acetic acid, 5-Hydroxyindoleacetate, Indole-3-acetic acid, 5-hydroxy-, (5-hydroxyindol-3-yl)acetic acid, NSC 90432, CCRIS 4423, 5-hydroxyindole acetic acid, EINECS 200-195-4, YHC763JY1P, MFCD00005639, BRN 0168797, CHEBI:27823, 5HIAA, NSC-90432, 5-22-05-00203 (Beilstein Handbook Reference), 5-Hydroxyindol-3-acetic acid, CHEMBL395915, NSC90432, INDOLEACETIC ACID, 5-HYDROXY-, 5-hydroxyindole acetate, 5-hydroxy-indole-3-acetic acid, Acid, Hydroxyindoleacetic, 5-hydroxyindolylaceticacid, UNII-YHC763JY1P, 5-HO-IAA, 5 Hydroxy 3 Indoleacetic Acid, 1H-Indoleacetic acid, hydroxy-, 5 Hydroxyindolamine Acetic Acid, 5-Hydroxyindolamine Acetic Acid, Acid, 5-Hydroxy-3-Indoleacetic, 5HydroxyIAA, Acetic Acid, 5-Hydroxyindolamine, Acid, 5-Hydroxyindolamine Acetic, 5-Oxyindoleacetate, 5Hydroxyheteroauxin, Hydroxyindoleacetate, HID, 2-(5-hydroxyindol-3-yl)acetic acid, 5oxyindoleacetic acid, (5-hydroxy-1H-indol-3-yl)-acetic acid, 5hydroxyindoleacetic acid, 5-hydroxy-indole acetate, 5Hydroxyindolylacetic acid, Lopac-H-8876, CBMicro_013565, 5-Hydroxyindole-3-acetate, bmse000364, 5Hydroxyindol3ylacetic acid, 5-Hydroxy-3-indolylacetate, 5-Hydroxyindol-3-ylacetate, 5-hydroxy-Indole-3-acetate, NCIOpen2_001406, 5Hydroxy1Hindole3acetic acid, Lopac0_000636, Oprea1_139007, Indole3acetic acid, 5hydroxy, MLS000859593, SCHEMBL138121, 1HIndole3acetic acid, 5hydroxy, 5-Hydroxy-1H-indole-3-acetate, 5-Hydroxyindolyacetic Acid,(S), 5-HydroxyindolessigsA currencyure, 5-hydroxyl indole-3-acetic acid, GTPL11900, DTXSID50861582, 5-hydroxy-indol-3-yl-acetic acid, HMS2230M10, HMS3261P14, HMS3372G16, ALBB-006262, GCA20931, HY-W008253R, 1H-Indole-3-aceticacid,5-hydroxy-, Tox21_500636, BBL012272, BDBM50458878, STK501256, AKOS003382389, CCG-221940, CS-W008253, FD13061, FH30381, HY-W008253, LP00636, SDCCGSBI-0013441.P003, NCGC00015522-01, NCGC00015522-02, NCGC00015522-03, NCGC00015522-04, NCGC00015522-07, NCGC00015522-08, NCGC00094003-01, NCGC00094003-02, NCGC00261321-01, DS-15683, Indole-3-acetic acid, 5-hydroxy-, 1H-, PD015273, SMR000326665, SY012014, (5-Hydroxy-1H-indol-3-yl)acetic acid #, 5-Hydroxyindole-3-acetic acid (Standard), DB-007055, EU-0100636, H0355, NS00014754, C05635, H 8876, EN300-7407243, 2-(5-hydroxy-1H-indol-3-yl)acetic acid, 5-HIAA, Q238532, SR-01000075583, SR-01000075583-1, 5-Hydroxyindole-3-acetic acid, >=98% (HPLC), crystalline, 74C13742-18FA-4D80-8B54-1B85D9463949 |
|---|---|
| Topological Polar Surface Area | 73.3 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 14.0 |
| Pathway Kegg Map Id | map00380 |
| Description | 5-Hydroxyindoleacetic acid (5-HIAA) is the main metabolite of serotonin in the human body. In chemical analysis of urine samples, 5-HIAA is used to determine the body's levels of serotonin. 5-Hydroxyindole-3-acetic acid is found in many foods, some of which are pitanga, dandelion, coconut, and white cabbage. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 231.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P46597, Q06278, P49189, P49419, P47895, P05091, P51648, P30837, P02768, P19838, n.a., P16473, P0A6C1, P00352, Q01453, P02545, P15428, P06280, Q6W5P4, P11712, Q99549, O89049, Q96KQ7, P83916, P11473, P49798, P84022, Q9R1U7, O88909, O75496, O75874, O94782, A3EZJ3, Q13304 |
| Iupac Name | 2-(5-hydroxy-1H-indol-3-yl)acetic acid |
| Nih Violation | False |
| Class | Indoles and derivatives |
| Xlogp | 1.1 |
| Superclass | Organoheterocyclic compounds |
| Is Pains | False |
| Subclass | Indolyl carboxylic acids and derivatives |
| Molecular Formula | C10H9NO3 |
| Inchi Key | DUUGKQCEGZLZNO-UHFFFAOYSA-N |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Synonyms | (5-hydroxy-1H-indol-3-yl)acetic acid, (5-hydroxyindol-3-yl)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-Hydroxyindolacetic acid, 5-Hydroxyindole acetate, 5-Hydroxyindole-3-acetate, 5-Hydroxyindoleacetate, 5-Hydroxyindoleacetic acid, 5-Hydroxyindolylacetic acid, 5-Oxyindoleacetate, 5-Oxyindoleacetic acid, 5HIAA, Hydroxyindoleacetate, Hydroxyindoleacetic acid, 5-Hydroxyindole-3-acetic acid, 5-Hydroxy-iaa, 5-Hydroxyindolamine acetic acid, 5 Hydroxy 3 indoleacetic acid, 5 Hydroxyindolamine acetic acid, Acetic acid, 5-hydroxyindolamine, Acid, hydroxyindoleacetic, Acid, 5-hydroxy-3-indoleacetic, Acid, 5-hydroxyindolamine acetic |
| Substituent Name | Indole-3-acetic acid derivative, Hydroxyindole, Indole, Benzenoid, Substituted pyrrole, Heteroaromatic compound, Pyrrole, Azacycle, Monocarboxylic acid or derivatives, Carboxylic acid, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Organonitrogen compound, Carbonyl group, Aromatic heteropolycyclic compound |
| Compound Name | Hydroxyindoleacetic Acid |
| Kingdom | Organic compounds |
| Exact Mass | 191.058 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 191.058 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 191.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| 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) |
| Smiles | C1=CC2=C(C=C1O)C(=CN2)CC(=O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Indole-3-acetic acid derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Hordeum Vulgare (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Lycopersicon Esculentum (Plant) Rel Props:Source_db:fooddb_chem_all