1.02010-04-08 22:10:23 UTC2019-11-26 03:07:43 UTCFDB012848MethoxatinBelieved to be a mammalian redox-cofactor vitamin (B group). Widely distributed in various foods such as vegetables and meat. Methoxatin is found in animal foods and green vegetables.2,4,6-tricarboxylic-pyrrolo[2,3-5,6]quinoline 8,9-quinone2,7,9-Tricarboxy-1H-pyrrolo(2,3-f)quinoline-4,5-dione2,7,9-Tricarboxypyrroloquinoline quinone4,5-dihydro-4,5-dioxo-1H-Pyrrolo[2,3-5,6]quinoline-2,7,9-tricarboxylate4,5-dihydro-4,5-dioxo-1H-Pyrrolo[2,3-5,6]quinoline-2,7,9-tricarboxylic acid4,5-Dihydro-4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid4,5-dioxo-4,5-dihydro-1H-Pyrrolo[2,3-F]quinoline-2,7,9-tricarboxylate4,5-dioxo-4,5-dihydro-1H-Pyrrolo[2,3-F]quinoline-2,7,9-tricarboxylic acidCoenzyme PQQMethoxatinePQQPQQ coenzymePQQ cofactorPyrrolo-quinoline quinonePyrroloquinoline dionePyrroloquinoline dione tricarboxylic acidPyrroloquinoline quinonePyrroloquinoline-quinonePyrroloquinolinequinoneC14H6N2O8330.206330.0124151784,5-dioxo-1H,4H,5H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acidpyrroloquinoline quinone72909-34-3OC(=O)C1=CC2=C(N1)C1=C(N=C(C=C1C(O)=O)C(O)=O)C(=O)C2=OInChI=1S/C14H6N2O8/c17-10-4-2-6(14(23)24)15-8(4)7-3(12(19)20)1-5(13(21)22)16-9(7)11(10)18/h1-2,15H,(H,19,20)(H,21,22)(H,23,24)MMXZSJMASHPLLR-UHFFFAOYSA-N belongs to the class of organic compounds known as pyrroloquinoline quinones. Pyrroloquinoline quinones are compounds with a structure based on the 2,7,-tricarboxy-1H-pyrrolo[2,3-f ]quinoline-4,5-dione. Pyrroloquinoline Quinones usually bear a carboxylic acid group at the C-2, C-7 and C-9 positions.Pyrroloquinoline quinonesOrganic compoundsOrganoheterocyclic compoundsQuinolines and derivativesPyrroloquinolinesAromatic heteropolycyclic compoundsAryl ketonesAzacyclic compoundsCarboxylic acidsHeteroaromatic compoundsHydrocarbon derivativesIndoles and derivativesO-quinonesOrganic oxidesOrganonitrogen compoundsOrganopnictogen compoundsPyridinecarboxylic acidsPyrrole 2-carboxylic acidsQuinoline carboxylic acidsSubstituted pyrrolesTricarboxylic acids and derivativesVinylogous amidesAromatic heteropolycyclic compoundAryl ketoneAzacycleCarboxylic acidCarboxylic acid derivativeHeteroaromatic compoundHydrocarbon derivativeIndole or derivativesKetoneO-quinoneOrganic nitrogen compoundOrganic oxideOrganic oxygen compoundOrganonitrogen compoundOrganooxygen compoundOrganopnictogen compoundPyridinePyridine carboxylic acidPyridine carboxylic acid or derivativesPyrrolePyrrole-2-carboxylic acidPyrrole-2-carboxylic acid or derivativesPyrroloquinoline quinoneQuinoline-2-carboxylic acidQuinoline-4-carboxylic acidQuinoneSubstituted pyrroleTricarboxylic acid or derivativesVinylogous amideProsthetic group [Fig]pyrroloquinoline cofactorquinonetricarboxylic acidSolidlogp0.46logs-3.53solubility9.66e-02 g/llogp0.37pka_strongest_acidic0.68pka_strongest_basic4.46iupac4,5-dioxo-1H,4H,5H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acidaverage_mass330.206mono_mass330.012415178smilesOC(=O)C1=CC2=C(N1)C1=C(N=C(C=C1C(O)=O)C(O)=O)C(=O)C2=OformulaC14H6N2O8inchiInChI=1S/C14H6N2O8/c17-10-4-2-6(14(23)24)15-8(4)7-3(12(19)20)1-5(13(21)22)16-9(7)11(10)18/h1-2,15H,(H,19,20)(H,21,22)(H,23,24)inchikeyMMXZSJMASHPLLR-UHFFFAOYSA-Npolar_surface_area174.72refractivity74.53polarizability28.91rotatable_bond_count3acceptor_count9donor_count4physiological_charge-3formal_charge0Specdb::NmrOneD320271Specdb::NmrOneD320272Specdb::NmrOneD320273Specdb::NmrOneD320274Specdb::NmrOneD320275Specdb::NmrOneD320276Specdb::NmrOneD320277Specdb::NmrOneD320278Specdb::NmrOneD320279Specdb::NmrOneD320280Specdb::NmrOneD320281Specdb::NmrOneD320282Specdb::NmrOneD320283Specdb::NmrOneD320284Specdb::NmrOneD320285Specdb::NmrOneD320286Specdb::NmrOneD320287Specdb::NmrOneD320288Specdb::NmrOneD320289Specdb::NmrOneD320290Specdb::CMs17671Specdb::CMs40144Specdb::CMs165584Specdb::MsMs28970Specdb::MsMs28971Specdb::MsMs28972Specdb::MsMs35528Specdb::MsMs35529Specdb::MsMs35530Specdb::MsMs2448428Specdb::MsMs2448429Specdb::MsMs2448430Specdb::MsMs2486517Specdb::MsMs2486518Specdb::MsMs2486519HMDB1363618315PQQ#<Reference:0x000055567620bcb0>#<Reference:0x000055567620baf8>Green vegetablesUnknowngeneric