1.02011-09-21 01:52:36 UTC2015-07-21 06:59:40 UTCFDB029248Neuromedin CNeuromedin c is a neuropeptide derived from the same precursor polypeptide as neurotensin, and with similar but subtly distinct expression and effect
Neurotensin is a 13 amino acid neuropeptide that is implicated in the regulation of luteinizing hormone and prolactin release and has significant interaction with the dopaminergic system. Neurotensin was first isolated from extracts of bovine hypothalamus based on its ability to cause a visible vasodilation in the exposed cutaneous regions of anesthetized rats
This structure shows neuromedin C [HMDB]Gly-Asn-His-Trp-Ala-Val-Gly-His-Leu-Met-NH2NMCC50H73N17O11S1120.2871119.539616953(2R)-2-(2-aminoacetamido)-N-[(1S)-1-{[(1R)-1-{[(1S)-1-{[(1R)-1-[({[(1S)-1-[(1-{[(1R)-1-carbamoyl-3-(methylsulfanyl)propyl]carbamoyl}-3-methylbutyl)carbamoyl]-2-(1H-imidazol-5-yl)ethyl]carbamoyl}methyl)carbamoyl]-2-methylpropyl]carbamoyl}ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(1H-imidazol-5-yl)ethyl]butanediamide(2R)-2-(2-aminoacetamido)-N-[(1S)-1-{[(1R)-1-{[(1S)-1-{[(1R)-1-[({[(1S)-1-[(1-{[(1R)-1-carbamoyl-3-(methylsulfanyl)propyl]carbamoyl}-3-methylbutyl)carbamoyl]-2-(3H-imidazol-4-yl)ethyl]carbamoyl}methyl)carbamoyl]-2-methylpropyl]carbamoyl}ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(3H-imidazol-4-yl)ethyl]succinamide81608-30-2CSCC[C@@H](NC(=O)C(CC(C)C)NC(=O)[C@H](CC1=CN=CN1)NC(=O)CNC(=O)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H](CC(N)=O)NC(=O)CN)C(C)C)C(N)=OInChI=1S/C50H73N17O11S/c1-25(2)13-34(46(74)63-33(43(53)71)11-12-79-6)64-47(75)36(15-29-20-54-23-58-29)62-41(70)22-57-50(78)42(26(3)4)67-44(72)27(5)60-45(73)35(14-28-19-56-32-10-8-7-9-31(28)32)65-48(76)37(16-30-21-55-24-59-30)66-49(77)38(17-39(52)68)61-40(69)18-51/h7-10,19-21,23-27,33-38,42,56H,11-18,22,51H2,1-6H3,(H2,52,68)(H2,53,71)(H,54,58)(H,55,59)(H,57,78)(H,60,73)(H,61,69)(H,62,70)(H,63,74)(H,64,75)(H,65,76)(H,66,77)(H,67,72)/t27-,33+,34?,35+,36-,37-,38+,42+/m0/s1RWBLWXCGQLZKLK-FHOLMIEWSA-N belongs to the class of organic compounds known as polypeptides. These are peptides containing ten or more amino acid residues.PolypeptidesOrganic compoundsOrganic PolymersPolypeptidesAromatic heteropolycyclic compounds3-alkylindolesAlanine and derivativesAlpha amino acid amidesAsparagine and derivativesAzacyclic compoundsBenzenoidsCarbonyl compoundsDialkylthioethersHeteroaromatic compoundsHistidine and derivativesHydrocarbon derivativesImidazolesLeucine and derivativesMethionine and derivativesMonoalkylaminesN-acyl aminesN-acyl-alpha amino acids and derivativesOrganic oxidesOrganopnictogen compoundsPeptidesPrimary carboxylic acid amidesSecondary carboxylic acid amidesSubstituted pyrrolesSulfenyl compoundsTryptamines and derivativesValine and derivatives3-alkylindoleAlanine or derivativesAlpha peptideAlpha-amino acid amideAlpha-amino acid or derivativesAmineAmino acid or derivativesAromatic heteropolycyclic compoundAsparagine or derivativesAzacycleAzoleBenzenoidCarbonyl groupCarboxamide groupCarboxylic acid derivativeDialkylthioetherFatty acylFatty amideHeteroaromatic compoundHistidine or derivativesHydrocarbon derivativeImidazoleIndoleIndole or derivativesLeucine or derivativesMethionine or derivativesN-acyl-alpha amino acid or derivativesN-acyl-amineN-substituted-alpha-amino acidOrganic nitrogen compoundOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganonitrogen compoundOrganooxygen compoundOrganopnictogen compoundOrganosulfur compoundPolypeptidePrimary aliphatic aminePrimary aminePrimary carboxylic acid amidePyrroleSecondary carboxylic acid amideSubstituted pyrroleSulfenyl compoundThioetherTriptanValine or derivativesSolidlogp0.17logs-4.78solubility1.86e-02 g/llogp-5.8pka_strongest_acidic11.5pka_strongest_basic7.9iupac(2R)-2-(2-aminoacetamido)-N-[(1S)-1-{[(1R)-1-{[(1S)-1-{[(1R)-1-[({[(1S)-1-[(1-{[(1R)-1-carbamoyl-3-(methylsulfanyl)propyl]carbamoyl}-3-methylbutyl)carbamoyl]-2-(1H-imidazol-5-yl)ethyl]carbamoyl}methyl)carbamoyl]-2-methylpropyl]carbamoyl}ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(1H-imidazol-5-yl)ethyl]butanediamideaverage_mass1120.287mono_mass1119.539616953smilesCSCC[C@@H](NC(=O)C(CC(C)C)NC(=O)[C@H](CC1=CN=CN1)NC(=O)CNC(=O)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H](CC(N)=O)NC(=O)CN)C(C)C)C(N)=OformulaC50H73N17O11SinchiInChI=1S/C50H73N17O11S/c1-25(2)13-34(46(74)63-33(43(53)71)11-12-79-6)64-47(75)36(15-29-20-54-23-58-29)62-41(70)22-57-50(78)42(26(3)4)67-44(72)27(5)60-45(73)35(14-28-19-56-32-10-8-7-9-31(28)32)65-48(76)37(16-30-21-55-24-59-30)66-49(77)38(17-39(52)68)61-40(69)18-51/h7-10,19-21,23-27,33-38,42,56H,11-18,22,51H2,1-6H3,(H2,52,68)(H2,53,71)(H,54,58)(H,55,59)(H,57,78)(H,60,73)(H,61,69)(H,62,70)(H,63,74)(H,64,75)(H,65,76)(H,66,77)(H,67,72)/t27-,33+,34?,35+,36-,37-,38+,42+/m0/s1inchikeyRWBLWXCGQLZKLK-FHOLMIEWSA-Npolar_surface_area447.25refractivity287.45polarizability112.8rotatable_bond_count33acceptor_count14donor_count15physiological_charge2formal_charge0Specdb::NmrOneD98498Specdb::NmrOneD98499Specdb::NmrOneD98500Specdb::NmrOneD98501Specdb::NmrOneD98502Specdb::NmrOneD98503Specdb::NmrOneD98504Specdb::NmrOneD98505Specdb::NmrOneD98506Specdb::NmrOneD98507Specdb::NmrOneD98508Specdb::NmrOneD98509Specdb::NmrOneD98510Specdb::NmrOneD98511Specdb::NmrOneD98512Specdb::NmrOneD98513Specdb::NmrOneD98514Specdb::NmrOneD98515Specdb::NmrOneD98516Specdb::NmrOneD98517Specdb::MsMs314167Specdb::MsMs314168Specdb::MsMs314169Specdb::MsMs359857Specdb::MsMs359858Specdb::MsMs359859Specdb::MsMs2290191Specdb::MsMs2290192Specdb::MsMs2290193Specdb::MsMs2649330Specdb::MsMs2649331Specdb::MsMs2649332HMDB13020