2.02012-08-09 09:25:23 -06002015-06-03 17:21:45 -0600ECMDB21543M2MDB001938IndolepyruvateIndolepyruvate is a member of the chemical class known as Indolyl Carboxylic Acids and Derivatives. These are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring. Indolepyruvate is invovled in Tryptophan metabolism. (KEGG)(Indol-3-yl)pyruvate(indol-3-yl)pyruvic acid3-(1H-Indol-3-yl)-2-oxopropanoate3-(1H-Indol-3-yl)-2-oxopropanoic acid3-(Indol-3-yl)pyruvate3-(Indol-3-yl)pyruvic acidIndole-3-pyruvateIndole-3-pyruvic acidIndolepyruvic acidC11H8NO3202.1861202.0504181273-(1H-indol-3-yl)-2-oxopropanoate3-(indol-3-yl)pyruvate35656-49-6[O-]C(=O)C(=O)CC1=CNC2=C1C=CC=C2InChI=1S/C11H9NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H,14,15)/p-1RSTKLPZEZYGQPY-UHFFFAOYSA-MMembranelogp1.66logs-2.55solubility6.16e-01 g/llogp2pka_strongest_acidic3.49pka_strongest_basic-9.8iupac3-(1H-indol-3-yl)-2-oxopropanoateaverage_mass202.1861mono_mass202.050418127smiles[O-]C(=O)C(=O)CC1=CNC2=C1C=CC=C2formulaC11H8NO3inchiInChI=1S/C11H9NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H,14,15)/p-1inchikeyRSTKLPZEZYGQPY-UHFFFAOYSA-Mpolar_surface_area72.99refractivity64.64polarizability19.31rotatable_bond_count3acceptor_count3donor_count1physiological_charge-1formal_charge-1Specdb::NmrOneD4474Specdb::NmrOneD4602Specdb::NmrOneD267128Specdb::NmrOneD267129Specdb::NmrOneD267130Specdb::NmrOneD267131Specdb::NmrOneD267132Specdb::NmrOneD267133Specdb::NmrOneD267134Specdb::NmrOneD267135Specdb::NmrOneD267136Specdb::NmrOneD267137Specdb::NmrOneD267138Specdb::NmrOneD267139Specdb::NmrOneD267140Specdb::NmrOneD267141Specdb::NmrOneD267142Specdb::NmrOneD267143Specdb::NmrOneD267144Specdb::NmrOneD267145Specdb::NmrOneD267146Specdb::NmrOneD267147Specdb::MsMs25967Specdb::MsMs25968Specdb::MsMs25969Specdb::MsMs32525Specdb::MsMs32526Specdb::MsMs3252754603374573902C0033129750van der Werf, M. J., Overkamp, K. M., Muilwijk, B., Coulier, L., Hankemeier, T. (2007). "Microbial metabolomics: toward a platform with full metabolome coverage." Anal Biochem 370:17-25.17765195