1.0 2011-09-21 00:27:53 UTC 2019-11-26 03:21:08 UTC FDB023312 5-Methoxyindoleacetate 5-methoxyindoleacetic acid(5-MIAA) is formed through oxidative deamination. It is identified in the urine, and the concentration is determined to be 1.3 micro g/mL using gas chromatography-mass spectrometry.(PMID: 12908946) There is increase in urinary 5-MIAA-excretion was shown in patients with cancer of the stomach, rectum and lung. (PMID: 2446428) [HMDB] 5-Methoxyindol-3-ylacetate 5-Methoxyindol-3-ylacetic acid 5-Methoxyindole-3-acetate 5-Methoxyindole-3-acetic acid 5-Methoxyindoleacetate 5-Methoxyindoleacetic acid Methoxyindoleacetate Methoxyindoleacetic acid C11H11NO3 205.2099 205.073893223 2-(5-methoxy-1H-indol-3-yl)acetic acid 5-methoxyindole-3-acetic acid 3471-31-6 COC1=CC2=C(NC=C2CC(O)=O)C=C1 InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14) COCNDHOPIHDTHK-UHFFFAOYSA-N belongs to the class of organic compounds known as indole-3-acetic acid derivatives. Indole-3-acetic acid derivatives are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole. Indole-3-acetic acid derivatives Organic compounds Organoheterocyclic compounds Indoles and derivatives Indolyl carboxylic acids and derivatives Aromatic heteropolycyclic compounds 3-alkylindoles Alkyl aryl ethers Anisoles Azacyclic compounds Carbonyl compounds Carboxylic acids Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Substituted pyrroles 3-alkylindole Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Azacycle Benzenoid Carbonyl group Carboxylic acid Carboxylic acid derivative Ether Heteroaromatic compound Hydrocarbon derivative Indole Indole-3-acetic acid derivative Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrrole Substituted pyrrole a small molecule indole-3-acetic acids Solid logp 1.76 ALOGPS logs -2.47 ALOGPS solubility 6.97e-01 g/l ALOGPS logp 1.55 ChemAxon pka_strongest_acidic 4.3 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac 2-(5-methoxy-1H-indol-3-yl)acetic acid ChemAxon average_mass 205.2099 ChemAxon mono_mass 205.073893223 ChemAxon smiles COC1=CC2=C(NC=C2CC(O)=O)C=C1 ChemAxon formula C11H11NO3 ChemAxon inchi InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14) ChemAxon inchikey COCNDHOPIHDTHK-UHFFFAOYSA-N ChemAxon polar_surface_area 62.32 ChemAxon refractivity 54.92 ChemAxon polarizability 20.73 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Tryptophan Metabolism SMP00063 map00380 Specdb::MsIr 2132 Specdb::MsIr 2133 Specdb::MsIr 2134 Specdb::CMs 1846 Specdb::CMs 24239 Specdb::CMs 31502 Specdb::CMs 32241 Specdb::CMs 38714 Specdb::CMs 135913 Specdb::CMs 143647 Specdb::MsMs 319672 Specdb::MsMs 319673 Specdb::MsMs 319674 Specdb::MsMs 366862 Specdb::MsMs 366863 Specdb::MsMs 366864 Specdb::MsMs 438166 Specdb::MsMs 438167 Specdb::MsMs 438168 Specdb::MsMs 438169 Specdb::MsMs 438170 Specdb::MsMs 445264 Specdb::MsMs 445265 Specdb::MsMs 445266 Specdb::MsMs 445267 Specdb::MsMs 445268 Specdb::MsMs 445269 Specdb::MsMs 446565 Specdb::MsMs 446566 Specdb::MsMs 446567 Specdb::MsMs 446568 Specdb::MsMs 446569 Specdb::MsMs 447248 Specdb::MsMs 2226994 Specdb::MsMs 2227079 HMDB04096 MYI #<Reference:0x000055ce315b6058> #<Reference:0x000055ce315b5e50> #<Reference:0x000055ce315b5c98> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Milk (Cow) Type 2 specific Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823