1.0 2011-09-21 00:13:11 UTC 2015-07-21 06:57:10 UTC FDB022384 Angiotensin III Angiotensin III (AngIII) is one of the N-terminal angiotensin degradation products of angiotensin II. AngIII shares some of its properties with Ang II, including chemotaxis and production of growth factors and chemokines. AngIII generated within the brain acts within neural circuits of the central nervous system to regulate body fluid balance. The stimulation of vasopressin release by AngIII is thought to be one of the mechanisms by which AngIII controls volume homeostasis under conditions of hypovolemia, by reducing renal water loss and increasing blood pressure. Brain aminopeptidase A, the enzyme forming central AngIII, could constitute a putative central therapeutic target for the treatment of hypertension. (PMID: 17210474, 11751722, 11295571) [HMDB] Des-Asp-1-Angiotensin II C46H66N12O9 931.0912 930.50757177 (2S)-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-[(diaminomethylidene)amino]pentanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanoic acid (2S)-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-[(diaminomethylidene)amino]pentanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-3-(3H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanoic acid 12687-51-3 CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O InChI=1S/C46H66N12O9/c1-5-27(4)38(57-40(61)33(21-29-15-17-31(59)18-16-29)53-42(63)37(26(2)3)56-39(60)32(47)13-9-19-51-46(48)49)43(64)54-34(23-30-24-50-25-52-30)44(65)58-20-10-14-36(58)41(62)55-35(45(66)67)22-28-11-7-6-8-12-28/h6-8,11-12,15-18,24-27,32-38,59H,5,9-10,13-14,19-23,47H2,1-4H3,(H,50,52)(H,53,63)(H,54,64)(H,55,62)(H,56,60)(H,57,61)(H,66,67)(H4,48,49,51)/t27-,32-,33-,34-,35-,36-,37-,38-/m0/s1 QMMRCKSBBNJCMR-KMZPNFOHSA-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. Oligopeptides Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aromatic heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alpha amino acid amides Amino acids Amphetamines and derivatives Azacyclic compounds Carbonyl compounds Carboximidamides Carboxylic acids Guanidines Heteroaromatic compounds Histidine and derivatives Hydrocarbon derivatives Imidazolyl carboxylic acids and derivatives Isoleucine and derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl amines N-acyl-L-alpha-amino acids N-acylpyrrolidines Organic oxides Organopnictogen compounds Phenylalanine and derivatives Phenylpropanoic acids Proline and derivatives Propargyl-type 1,3-dipolar organic compounds Pyrrolidinecarboxamides Secondary carboxylic acid amides Tertiary carboxylic acid amides Tyrosine and derivatives Valine and derivatives 1-hydroxy-2-unsubstituted benzenoid 3-phenylpropanoic-acid Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-oligopeptide Amine Amino acid Amino acid or derivatives Amphetamine or derivatives Aromatic heteromonocyclic compound Azacycle Azole Benzenoid Carbonyl group Carboxamide group Carboximidamide Carboxylic acid Fatty acyl Fatty amide Guanidine Heteroaromatic compound Histidine or derivatives Hydrocarbon derivative Imidazole Imidazolyl carboxylic acid derivative Isoleucine or derivatives Monocarboxylic acid or derivatives Monocyclic benzene moiety N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-amine N-acyl-l-alpha-amino acid N-acylpyrrolidine N-substituted-alpha-amino acid Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Phenylalanine or derivatives Primary aliphatic amine Primary amine Proline or derivatives Propargyl-type 1,3-dipolar organic compound Pyrrolidine Pyrrolidine carboxylic acid or derivatives Pyrrolidine-2-carboxamide Secondary carboxylic acid amide Tertiary carboxylic acid amide Tyrosine or derivatives Valine or derivatives Solid logp -0.79 ALOGPS logs -4.82 ALOGPS solubility 1.40e-02 g/l ALOGPS logp -1.8 ChemAxon pka_strongest_acidic 3.51 ChemAxon pka_strongest_basic 11.18 ChemAxon iupac (2S)-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-[(diaminomethylidene)amino]pentanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanoic acid ChemAxon average_mass 931.0912 ChemAxon mono_mass 930.50757177 ChemAxon smiles CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O ChemAxon formula C46H66N12O9 ChemAxon inchi InChI=1S/C46H66N12O9/c1-5-27(4)38(57-40(61)33(21-29-15-17-31(59)18-16-29)53-42(63)37(26(2)3)56-39(60)32(47)13-9-19-51-46(48)49)43(64)54-34(23-30-24-50-25-52-30)44(65)58-20-10-14-36(58)41(62)55-35(45(66)67)22-28-11-7-6-8-12-28/h6-8,11-12,15-18,24-27,32-38,59H,5,9-10,13-14,19-23,47H2,1-4H3,(H,50,52)(H,53,63)(H,54,64)(H,55,62)(H,56,60)(H,57,61)(H,66,67)(H4,48,49,51)/t27-,32-,33-,34-,35-,36-,37-,38-/m0/s1 ChemAxon inchikey QMMRCKSBBNJCMR-KMZPNFOHSA-N ChemAxon polar_surface_area 342.44 ChemAxon refractivity 246.48 ChemAxon polarizability 98.53 ChemAxon rotatable_bond_count 25 ChemAxon acceptor_count 14 ChemAxon donor_count 11 ChemAxon physiological_charge 2 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 8302 Specdb::NmrOneD 8303 Specdb::NmrOneD 8304 Specdb::NmrOneD 8305 Specdb::NmrOneD 8306 Specdb::NmrOneD 8307 Specdb::NmrOneD 8308 Specdb::NmrOneD 8309 Specdb::NmrOneD 8310 Specdb::NmrOneD 8311 Specdb::NmrOneD 8312 Specdb::NmrOneD 8313 Specdb::NmrOneD 8314 Specdb::NmrOneD 8315 Specdb::NmrOneD 8316 Specdb::NmrOneD 8317 Specdb::NmrOneD 8318 Specdb::NmrOneD 8319 Specdb::NmrOneD 8320 Specdb::NmrOneD 8321 Specdb::MsMs 287713 Specdb::MsMs 287714 Specdb::MsMs 287715 Specdb::MsMs 326611 Specdb::MsMs 326612 Specdb::MsMs 326613 Specdb::MsMs 2674261 Specdb::MsMs 2674262 Specdb::MsMs 2674263 Specdb::MsMs 3033974 Specdb::MsMs 3033975 Specdb::MsMs 3033976 HMDB01036 #<Reference:0x000055ce32ae59b0> #<Reference:0x000055ce32ae56e0> #<Reference:0x000055ce32ae5460> #<Reference:0x000055ce32ae5028> #<Reference:0x000055ce32ae4d58> #<Reference:0x000055ce32ae4ad8> #<Reference:0x000055ce32ae4880> #<Reference:0x000055ce32ae46c8> #<Reference:0x000055ce32ae44e8> #<Reference:0x000055ce32ae4290> #<Reference:0x000055ce32adff10> #<Reference:0x000055ce32adfba0> #<Reference:0x000055ce32adf9c0> #<Reference:0x000055ce32adf808> #<Reference:0x000055ce32adf600> #<Reference:0x000055ce32adf420> #<Reference:0x000055ce32adf1f0> #<Reference:0x000055ce32adf038> #<Reference:0x000055ce32adee80> #<Reference:0x000055ce32adec50> #<Reference:0x000055ce32adea48> #<Reference:0x000055ce32ade890> #<Reference:0x000055ce32ade638> #<Reference:0x000055ce32ade3e0> #<Reference:0x000055ce32ade0c0> #<Reference:0x000055ce32adde40> #<Reference:0x000055ce32addbe8> #<Reference:0x000055ce32add878> #<Reference:0x000055ce32add5a8> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823 Aminopeptidase O Q8N6M6 AOPEP