1.0 2011-09-21 01:51:46 UTC 2015-07-21 06:59:39 UTC FDB029201 Arginine vasopressin 1-8 Arginine vasopressin (AVP), also known as vasopressin, argipressin or antidiuretic hormone (ADH), is a hormone found in most mammals, including humans.[1] Vasopressin is a peptide hormone that controls the reabsorption of molecules in the tubules of the kidneys by affecting the tissue's permeability. It also increases peripheral vascular resistance, which in turn increases arterial blood pressure. It plays a key role in homeostasis, and the regulation of water, glucose, and salts in the blood. It is derived from a preprohormone precursor that is synthesized in the hypothalamus and stored in vesicles at the posterior pituitary. Most of it is stored in the posterior pituitary to be released into the bloodstream; however, some AVP is also released directly into the brain. this is a sample structure of fraction 1-8 of the peptide chain [HMDB] Cys-Tyr-Phe-Gln-Asn-Cys-Pro-Arg Cys-Tyr-Phe-Gln-Asn-Cys-Pro-Arg [Disulfide Bridge: 1-6] des-Gly-NH(,2)('9),[Arg('8)]-Vasopressin C44H61N13O12S2 1028.165 1027.400405861 (2R)-2-{[(2R)-1-[(4R,10R,13R,16R)-19-amino-13-benzyl-10-[2-(C-hydroxycarbonimidoyl)ethyl]-7-[(C-hydroxycarbonimidoyl)methyl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanoic acid (2R)-2-{[(2R)-1-[(4R,10R,13R,16R)-19-amino-13-benzyl-10-[2-(C-hydroxycarbonimidoyl)ethyl]-7-(C-hydroxycarbonimidoylmethyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanoic acid 37552-33-3 NC1CSSC[C@H](NC(=O)C(CC(O)=N)NC(=O)[C@@H](CCC(O)=N)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](CC2=CC=C(O)C=C2)NC1=O)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(N)=N)C(O)=O InChI=1S/C44H61N13O12S2/c45-26-21-70-71-22-32(42(67)57-17-5-9-33(57)41(66)52-28(43(68)69)8-4-16-50-44(48)49)56-40(65)31(20-35(47)60)55-37(62)27(14-15-34(46)59)51-38(63)30(18-23-6-2-1-3-7-23)54-39(64)29(53-36(26)61)19-24-10-12-25(58)13-11-24/h1-3,6-7,10-13,26-33,58H,4-5,8-9,14-22,45H2,(H2,46,59)(H2,47,60)(H,51,63)(H,52,66)(H,53,61)(H,54,64)(H,55,62)(H,56,65)(H,68,69)(H4,48,49,50)/t26?,27-,28-,29-,30-,31?,32+,33-/m1/s1 SXYIOPJBWYQZRQ-VMPYSSHJSA-N belongs to the class of organic compounds known as long-chain 3-enoyl coas. These are organic compounds containing a coenzyme A substructure linked to a long-chain 3-enoyl chain of 13 to 21 carbon atoms. Long-chain 3-enoyl CoAs Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acyl thioesters Aromatic heteropolycyclic compounds 6-aminopurines Acyl CoAs Alpha amino acids Amino acids Aminopyrimidines and derivatives Azacyclic compounds Carbonyl compounds Carbothioic S-esters Carboximidic acids Carboxylic acids Coenzyme A and derivatives Cysteine and derivatives Dialkylthioethers Dicarboxylic acids and derivatives Glycosylamines Heteroaromatic compounds Hydrocarbon derivatives Hydroxy fatty acids Imidolactams Lineolic acids and derivatives Long-chain fatty acids Monoalkyl phosphates Monoalkylamines Monosaccharide phosphates N-substituted imidazoles Organic oxides Organic pyrophosphates Oxacyclic compounds Oxolanes Pentose phosphates Propargyl-type 1,3-dipolar organic compounds Purine ribonucleoside diphosphates Ribonucleoside 3'-phosphates Secondary alcohols Sulfenyl compounds Thia fatty acids Thioesters Unsaturated fatty acids 6-aminopurine Alcohol Alkyl phosphate Alpha-amino acid Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Aminopyrimidine Aromatic heteropolycyclic compound Azacycle Azole Carbonyl group Carbothioic s-ester Carboximidic acid Carboximidic acid derivative Carboxylic acid Carboxylic acid derivative Coenzyme a or derivatives Cysteine or derivatives Dialkylthioether Dicarboxylic acid or derivatives Fatty acid Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxy fatty acid Imidazole Imidazopyrimidine Imidolactam Long-chain fatty acid Monoalkyl phosphate Monosaccharide Monosaccharide phosphate N-glycosyl compound N-substituted imidazole Octadecanoid Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organic pyrophosphate Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organosulfur compound Oxacycle Oxolane Pentose monosaccharide Pentose phosphate Pentose-5-phosphate Phosphoric acid ester Primary aliphatic amine Primary amine Propargyl-type 1,3-dipolar organic compound Purine Purine ribonucleoside 3',5'-bisphosphate Purine ribonucleoside bisphosphate Purine ribonucleoside diphosphate Pyrimidine Ribonucleoside 3'-phosphate Secondary alcohol Sulfenyl compound Thia fatty acid Thiocarboxylic acid ester Thiocarboxylic acid or derivatives Thioether Unsaturated fatty acid Solid logp -1.72 ALOGPS logs -4.05 ALOGPS solubility 9.08e-02 g/l ALOGPS logp -10 ChemAxon pka_strongest_acidic -1.3 ChemAxon pka_strongest_basic 12.79 ChemAxon iupac (2R)-2-{[(2R)-1-[(4R,10R,13R,16R)-19-amino-13-benzyl-10-[2-(C-hydroxycarbonimidoyl)ethyl]-7-[(C-hydroxycarbonimidoyl)methyl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanoic acid ChemAxon average_mass 1028.165 ChemAxon mono_mass 1027.400405861 ChemAxon smiles NC1CSSC[C@H](NC(=O)C(CC(O)=N)NC(=O)[C@@H](CCC(O)=N)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](CC2=CC=C(O)C=C2)NC1=O)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(N)=N)C(O)=O ChemAxon formula C44H61N13O12S2 ChemAxon inchi InChI=1S/C44H61N13O12S2/c45-26-21-70-71-22-32(42(67)57-17-5-9-33(57)41(66)52-28(43(68)69)8-4-16-50-44(48)49)56-40(65)31(20-35(47)60)55-37(62)27(14-15-34(46)59)51-38(63)30(18-23-6-2-1-3-7-23)54-39(64)29(53-36(26)61)19-24-10-12-25(58)13-11-24/h1-3,6-7,10-13,26-33,58H,4-5,8-9,14-22,45H2,(H2,46,59)(H2,47,60)(H,51,63)(H,52,66)(H,53,61)(H,54,64)(H,55,62)(H,56,65)(H,68,69)(H4,48,49,50)/t26?,27-,28-,29-,30-,31?,32+,33-/m1/s1 ChemAxon inchikey SXYIOPJBWYQZRQ-VMPYSSHJSA-N ChemAxon polar_surface_area 428.52 ChemAxon refractivity 290.13 ChemAxon polarizability 102.37 ChemAxon rotatable_bond_count 17 ChemAxon acceptor_count 18 ChemAxon donor_count 16 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 289771 Specdb::MsMs 289772 Specdb::MsMs 289773 Specdb::MsMs 329302 Specdb::MsMs 329303 Specdb::MsMs 329304 Specdb::MsMs 2721222 Specdb::MsMs 2721223 Specdb::MsMs 2721224 Specdb::MsMs 2960568 Specdb::MsMs 2960569 Specdb::MsMs 2960570 Specdb::NmrOneD 97978 Specdb::NmrOneD 97979 Specdb::NmrOneD 97980 Specdb::NmrOneD 97981 Specdb::NmrOneD 97982 Specdb::NmrOneD 97983 Specdb::NmrOneD 97984 Specdb::NmrOneD 97985 Specdb::NmrOneD 97986 Specdb::NmrOneD 97987 Specdb::NmrOneD 97988 Specdb::NmrOneD 97989 Specdb::NmrOneD 97990 Specdb::NmrOneD 97991 Specdb::NmrOneD 97992 Specdb::NmrOneD 97993 Specdb::NmrOneD 97994 Specdb::NmrOneD 97995 Specdb::NmrOneD 97996 Specdb::NmrOneD 97997 HMDB12895