1.02010-04-08 22:04:49 UTC2020-02-24 19:10:19 UTCFDB001055Vulgaxanthin IYellow pigment from Beta subspecies Food colourant. Vulgaxanthin I is found in red beetroot, common beet, and root vegetables.Vulgaxanthin IVulgaxanthin-IC14H17N3O7339.3007339.106649913(4Z)-4-[(2E)-2-[(3-carbamoyl-1-carboxypropyl)imino]ethylidene]-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid(4Z)-4-[(2E)-2-[(3-carbamoyl-1-carboxypropyl)imino]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid904-62-1NC(=O)CCC(\N=C\C=C1\CC(NC(=C1)C(O)=O)C(O)=O)C(O)=OInChI=1S/C14H17N3O7/c15-11(18)2-1-8(12(19)20)16-4-3-7-5-9(13(21)22)17-10(6-7)14(23)24/h3-5,8,10,17H,1-2,6H2,(H2,15,18)(H,19,20)(H,21,22)(H,23,24)/b7-3+,16-4+PDBJJFJKNSKTSW-SIABEIIVSA-N belongs to the class of organic compounds known as glutamine and derivatives. Glutamine and derivatives are compounds containing glutamine or a derivative thereof resulting from reaction of glutamine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.Glutamine and derivativesOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analoguesAliphatic heteromonocyclic compoundsAlpha amino acidsAmino acidsAzacyclic compoundsCarbonyl compoundsCarboxylic acid saltsCarboxylic acidsDialkylaminesEnaminesFatty amidesHydrocarbon derivativesOrganic oxidesOrganic saltsOrganic zwitterionsOrganopnictogen compoundsPrimary aldiminesPrimary carboxylic acid amidesPropargyl-type 1,3-dipolar organic compoundsShiff basesTetrahydropyridinesTricarboxylic acids and derivativesAldimineAliphatic heteromonocyclic compoundAlpha-amino acidAmineAmino acidAzacycleCarbonyl groupCarboxamide groupCarboxylic acidCarboxylic acid saltEnamineFatty acylFatty amideGlutamine or derivativesHydrocarbon derivativeHydropyridineOrganic 1,3-dipolar compoundOrganic nitrogen compoundOrganic oxideOrganic oxygen compoundOrganic saltOrganic zwitterionOrganoheterocyclic compoundOrganonitrogen compoundOrganooxygen compoundOrganopnictogen compoundPrimary aldiminePrimary carboxylic acid amidePropargyl-type 1,3-dipolar organic compoundSecondary aliphatic amineSecondary amineShiff baseTetrahydropyridineTricarboxylic acid or derivativeslogp-0.32logs-3.12solubility2.58e-01 g/llogp-3.8pka_strongest_acidic1.64pka_strongest_basic8.59iupac(4Z)-4-[(2E)-2-[(3-carbamoyl-1-carboxypropyl)imino]ethylidene]-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acidaverage_mass339.3007mono_mass339.106649913smilesNC(=O)CCC(\N=C\C=C1\CC(NC(=C1)C(O)=O)C(O)=O)C(O)=OformulaC14H17N3O7inchiInChI=1S/C14H17N3O7/c15-11(18)2-1-8(12(19)20)16-4-3-7-5-9(13(21)22)17-10(6-7)14(23)24/h3-5,8,10,17H,1-2,6H2,(H2,15,18)(H,19,20)(H,21,22)(H,23,24)/b7-3+,16-4+inchikeyPDBJJFJKNSKTSW-SIABEIIVSA-Npolar_surface_area179.38refractivity80.92polarizability32.17rotatable_bond_count8acceptor_count9donor_count5physiological_charge-2formal_charge0Specdb::NmrOneD16342Specdb::NmrOneD16343Specdb::NmrOneD16344Specdb::NmrOneD16345Specdb::NmrOneD16346Specdb::NmrOneD16347Specdb::NmrOneD16348Specdb::NmrOneD16349Specdb::NmrOneD16350Specdb::NmrOneD16351Specdb::NmrOneD16352Specdb::NmrOneD16353Specdb::NmrOneD16354Specdb::NmrOneD16355Specdb::NmrOneD16356Specdb::NmrOneD16357Specdb::NmrOneD16358Specdb::NmrOneD16359Specdb::NmrOneD16360Specdb::NmrOneD16361Specdb::CMs10836Specdb::CMs41584Specdb::CMs150400Specdb::MsMs70356Specdb::MsMs70357Specdb::MsMs70358Specdb::MsMs128841Specdb::MsMs128842Specdb::MsMs128843Specdb::MsMs2695446Specdb::MsMs2695447Specdb::MsMs2695448Specdb::MsMs2986771Specdb::MsMs2986772Specdb::MsMs2986773HMDB29840#<Reference:0x00005556742e8860>Common beetType 1specificBeta vulgaris161934Red beetrootType 1specificBeta vulgaris var. rubraRoot vegetablesUnknowngeneric