1.02010-04-08 22:13:06 UTC2019-11-26 03:14:54 UTCFDB017467OrnithokininIsolated from chicken blood. Ornithokinin is found in animal foods.6-L-Threonine-8-L-leucine-bradykinin6-L-Threonine-8-L-leucinebradykinin6-Thr-8-leu-bradykininArg-pro-pro-GLY-phe-THR-pro-leu-argBradykinin, 6-L-threonine-8-L-leucine-Bradykinin, thr(6)-leu(8)-Bradykinin, threonyl(6)-leucyl(8)-Ornitho-kininThr(6)-leu(8)-bradykininThreonyl(6)-leucyl(8)-bradykininC48H77N15O111040.21891039.592698381(2S)-2-[(Z)-[(2S)-2-[(Z)-{[(2S)-1-[(2S,3R)-2-[(Z)-[(2S)-2-[(Z)-{2-[(Z)-{[(2S)-1-[(2S)-1-[(2S)-2-amino-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl](hydroxy)methylidene}amino]-1-hydroxyethylidene}amino]-1-hydroxy-3-phenylpropylidene]amino]-3-hydroxybutanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino]-1-hydroxy-4-methylpentylidene]amino]-5-carbamimidamidopentanoic acid(2S)-2-[(Z)-[(2S)-2-[(Z)-{[(2S)-1-[(2S,3R)-2-[(Z)-[(2S)-2-[(Z)-{2-[(Z)-{[(2S)-1-[(2S)-1-[(2S)-2-amino-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl](hydroxy)methylidene}amino]-1-hydroxyethylidene}amino]-1-hydroxy-3-phenylpropylidene]amino]-3-hydroxybutanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino]-1-hydroxy-4-methylpentylidene]amino]-5-carbamimidamidopentanoic acid14042-92-3CC(C)C[C@H](\N=C(/O)[C@@H]1CCCN1C(=O)[C@@H](\N=C(/O)[C@H](CC1=CC=CC=C1)\N=C(/O)C\N=C(/O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)O)C(\O)=N\[C@@H](CCCNC(N)=N)C(O)=OInChI=1S/C48H77N15O11/c1-27(2)24-32(39(66)58-31(46(73)74)15-8-20-55-48(52)53)59-42(69)35-17-10-22-62(35)45(72)38(28(3)64)60-40(67)33(25-29-12-5-4-6-13-29)57-37(65)26-56-41(68)34-16-9-21-61(34)44(71)36-18-11-23-63(36)43(70)30(49)14-7-19-54-47(50)51/h4-6,12-13,27-28,30-36,38,64H,7-11,14-26,49H2,1-3H3,(H,56,68)(H,57,65)(H,58,66)(H,59,69)(H,60,67)(H,73,74)(H4,50,51,54)(H4,52,53,55)/t28-,30+,31+,32+,33+,34+,35+,36+,38+/m1/s1ASWVOLDXJJGVLP-JZFIHROJSA-N belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.OligopeptidesOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analoguesAromatic heteromonocyclic compoundsAlpha amino acid amidesAmino acidsAmphetamines and derivativesAzacyclic compoundsCarbonyl compoundsCarboximidamidesCarboxylic acidsGuanidinesHydrocarbon derivativesLeucine and derivativesMonoalkylaminesMonocarboxylic acids and derivativesN-acyl aminesN-acyl-L-alpha-amino acidsN-acylpyrrolidinesOrganic oxidesOrganopnictogen compoundsPhenylalanine and derivativesProline and derivativesPropargyl-type 1,3-dipolar organic compoundsPyrrolidinecarboxamidesSecondary alcoholsSecondary carboxylic acid amidesTertiary carboxylic acid amidesAlcoholAlpha-amino acid amideAlpha-amino acid or derivativesAlpha-oligopeptideAmineAmino acidAmino acid or derivativesAmphetamine or derivativesAromatic heteromonocyclic compoundAzacycleBenzenoidCarbonyl groupCarboxamide groupCarboximidamideCarboxylic acidFatty acylFatty amideGuanidineHydrocarbon derivativeLeucine or derivativesMonocarboxylic acid or derivativesMonocyclic benzene moietyN-acyl-alpha amino acid or derivativesN-acyl-alpha-amino acidN-acyl-amineN-acyl-l-alpha-amino acidN-acylpyrrolidineN-substituted-alpha-amino acidOrganic 1,3-dipolar compoundOrganic nitrogen compoundOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganonitrogen compoundOrganooxygen compoundOrganopnictogen compoundPhenylalanine or derivativesPrimary aliphatic aminePrimary amineProline or derivativesPropargyl-type 1,3-dipolar organic compoundPyrrolidinePyrrolidine carboxylic acid or derivativesPyrrolidine-2-carboxamideSecondary alcoholSecondary carboxylic acid amideTertiary carboxylic acid amidelogp-0.69logs-3.99solubility1.06e-01 g/llogp-3.7pka_strongest_acidic3.51pka_strongest_basic12.35iupac(2S)-2-[(Z)-[(2S)-2-[(Z)-{[(2S)-1-[(2S,3R)-2-[(Z)-[(2S)-2-[(Z)-{2-[(Z)-{[(2S)-1-[(2S)-1-[(2S)-2-amino-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl](hydroxy)methylidene}amino]-1-hydroxyethylidene}amino]-1-hydroxy-3-phenylpropylidene]amino]-3-hydroxybutanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino]-1-hydroxy-4-methylpentylidene]amino]-5-carbamimidamidopentanoic acidaverage_mass1040.2189mono_mass1039.592698381smilesCC(C)C[C@H](\N=C(/O)[C@@H]1CCCN1C(=O)[C@@H](\N=C(/O)[C@H](CC1=CC=CC=C1)\N=C(/O)C\N=C(/O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)O)C(\O)=N\[C@@H](CCCNC(N)=N)C(O)=OformulaC48H77N15O11inchiInChI=1S/C48H77N15O11/c1-27(2)24-32(39(66)58-31(46(73)74)15-8-20-55-48(52)53)59-42(69)35-17-10-22-62(35)45(72)38(28(3)64)60-40(67)33(25-29-12-5-4-6-13-29)57-37(65)26-56-41(68)34-16-9-21-61(34)44(71)36-18-11-23-63(36)43(70)30(49)14-7-19-54-47(50)51/h4-6,12-13,27-28,30-36,38,64H,7-11,14-26,49H2,1-3H3,(H,56,68)(H,57,65)(H,58,66)(H,59,69)(H,60,67)(H,73,74)(H4,50,51,54)(H4,52,53,55)/t28-,30+,31+,32+,33+,34+,35+,36+,38+/m1/s1inchikeyASWVOLDXJJGVLP-JZFIHROJSA-Npolar_surface_area431.23refractivity291.17polarizability111.73rotatable_bond_count27acceptor_count23donor_count14physiological_charge2formal_charge0Specdb::NmrOneD25202Specdb::NmrOneD25203Specdb::NmrOneD25204Specdb::NmrOneD25205Specdb::NmrOneD25206Specdb::NmrOneD25207Specdb::NmrOneD25208Specdb::NmrOneD25209Specdb::NmrOneD25210Specdb::NmrOneD25211Specdb::NmrOneD25212Specdb::NmrOneD25213Specdb::NmrOneD25214Specdb::NmrOneD25215Specdb::NmrOneD25216Specdb::NmrOneD25217Specdb::NmrOneD25218Specdb::NmrOneD25219Specdb::NmrOneD25220Specdb::NmrOneD25221Specdb::MsMs93780Specdb::MsMs93781Specdb::MsMs93782Specdb::MsMs157623Specdb::MsMs157624Specdb::MsMs157625Specdb::MsMs2726726Specdb::MsMs2726727Specdb::MsMs2726728Specdb::MsMs2979518Specdb::MsMs2979519Specdb::MsMs2979520HMDB38224#<Reference:0x0000555675b5ace0>#<Reference:0x0000555675b5aa88>#<Reference:0x0000555675b5a7b8>#<Reference:0x0000555675b5a4c0>#<Reference:0x0000555675b5a268>#<Reference:0x0000555675b59fc0>