Record Information |
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Version | 1.0 |
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Creation Date | 2016-05-26 05:26:27 UTC |
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Update Date | 2016-11-09 01:21:14 UTC |
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Accession Number | CHEM035041 |
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Identification |
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Common Name | Angiotensin III |
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Class | Small Molecule |
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Description | |
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Contaminant Sources | |
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Contaminant Type | Not Available |
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Chemical Structure | |
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Synonyms | Value | Source |
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Des-asp-1-angiotensin II | HMDB | Angiotensin II, des-asp | MeSH, HMDB | Des asp angiotensin II | MeSH, HMDB | Des aspartyl angiotensin II | MeSH, HMDB | Des-asp angiotensin II | MeSH, HMDB | Des-aspartyl-angiotensin II | MeSH, HMDB | (2S)-2-({[(2S)-1-[(2S)-2-{[(2S,3S)-2-{[(2S)-2-{[(2S)-2-{[(2S)-2-amino-5-carbamimidamido-1-hydroxypentylidene]amino}-1-hydroxy-3-methylbutylidene]amino}-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}-1-hydroxy-3-methylpentylidene]amino}-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)-3-phenylpropanoate | Generator, HMDB | Angiotensin III | MeSH |
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Chemical Formula | C46H66N12O9 |
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Average Molecular Mass | 931.091 g/mol |
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Monoisotopic Mass | 930.508 g/mol |
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CAS Registry Number | 12687-51-3 |
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IUPAC Name | (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 |
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Traditional Name | (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 |
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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 |
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InChI Identifier | 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 |
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InChI Key | QMMRCKSBBNJCMR-KMZPNFOHSA-N |
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Chemical Taxonomy |
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Description | 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. |
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Kingdom | Organic compounds |
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Super Class | Organic acids and derivatives |
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Class | Carboxylic acids and derivatives |
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Sub Class | Amino acids, peptides, and analogues |
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Direct Parent | Oligopeptides |
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Alternative Parents | |
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Substituents | - Alpha-oligopeptide
- Tyrosine or derivatives
- Phenylalanine or derivatives
- Histidine or derivatives
- Isoleucine or derivatives
- N-acyl-alpha-amino acid
- Valine or derivatives
- Proline or derivatives
- N-acyl-alpha amino acid or derivatives
- N-acyl-l-alpha-amino acid
- Alpha-amino acid amide
- 3-phenylpropanoic-acid
- N-substituted-alpha-amino acid
- Alpha-amino acid or derivatives
- Amphetamine or derivatives
- Imidazolyl carboxylic acid derivative
- N-acylpyrrolidine
- Pyrrolidine carboxylic acid or derivatives
- Pyrrolidine-2-carboxamide
- 1-hydroxy-2-unsubstituted benzenoid
- Phenol
- Fatty amide
- N-acyl-amine
- Monocyclic benzene moiety
- Fatty acyl
- Benzenoid
- Heteroaromatic compound
- Tertiary carboxylic acid amide
- Pyrrolidine
- Imidazole
- Azole
- Carboxamide group
- Secondary carboxylic acid amide
- Guanidine
- Amino acid
- Amino acid or derivatives
- Azacycle
- Monocarboxylic acid or derivatives
- Organoheterocyclic compound
- Carboximidamide
- Organic 1,3-dipolar compound
- Propargyl-type 1,3-dipolar organic compound
- Carboxylic acid
- Amine
- Organic nitrogen compound
- Primary aliphatic amine
- Carbonyl group
- Organic oxide
- Organonitrogen compound
- Organopnictogen compound
- Organooxygen compound
- Hydrocarbon derivative
- Primary amine
- Organic oxygen compound
- Aromatic heteromonocyclic compound
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Molecular Framework | Aromatic heteromonocyclic compounds |
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External Descriptors | Not Available |
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Biological Properties |
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Status | Detected and Not Quantified |
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Origin | Not Available |
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Cellular Locations | Not Available |
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Biofluid Locations | Not Available |
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Tissue Locations | Not Available |
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Pathways | Not Available |
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Applications | Not Available |
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Biological Roles | Not Available |
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Chemical Roles | Not Available |
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Physical Properties |
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State | Not Available |
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Appearance | Not Available |
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Experimental Properties | Property | Value |
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Melting Point | Not Available | Boiling Point | Not Available | Solubility | Not Available |
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Predicted Properties | |
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Spectra |
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Spectra | Spectrum Type | Description | Splash Key | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-06vi-5961232228-ea4adf55f419bbf3e0a8 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0200-6921010000-78b0faf8ce8050666bf0 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0209-9410000000-bbebe48db6281a886339 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000i-1000000092-4a7a50dd8f3ff61c013e | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-08fr-7312022291-47ca9d35823f8d125113 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-08fu-9232011110-c5464e972b484b1210fe | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-004i-0000100009-cb682999fd045f9fc4d9 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-03kc-5295211253-96684706f7b52c76d77e | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-03kd-6648180390-5726793f99bc63ef5611 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-001i-0223330329-7bdcba8cf45b54090ccb | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-06tr-3922011002-e608edceb9299f7d9e64 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-00dr-9500012201-3a78900784d621a6a389 | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum |
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Toxicity Profile |
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Route of Exposure | Not Available |
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Mechanism of Toxicity | Not Available |
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Metabolism | Not Available |
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Toxicity Values | Not Available |
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Lethal Dose | Not Available |
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Carcinogenicity (IARC Classification) | Not Available |
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Uses/Sources | Not Available |
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Minimum Risk Level | Not Available |
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Health Effects | Not Available |
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Symptoms | Not Available |
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Treatment | Not Available |
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Concentrations |
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| Not Available |
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External Links |
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DrugBank ID | Not Available |
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HMDB ID | HMDB0001036 |
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FooDB ID | FDB022384 |
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Phenol Explorer ID | Not Available |
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KNApSAcK ID | Not Available |
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BiGG ID | Not Available |
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BioCyc ID | Not Available |
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METLIN ID | Not Available |
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PDB ID | Not Available |
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Wikipedia Link | Angiotensin |
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Chemspider ID | 2339529 |
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ChEBI ID | 1183270 |
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PubChem Compound ID | 3082042 |
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Kegg Compound ID | C15848 |
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YMDB ID | Not Available |
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ECMDB ID | Not Available |
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References |
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Synthesis Reference | Not Available |
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MSDS | Not Available |
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General References | 1. Arita M, Wanaka Y: [Angiotensin I, angiotensin II, angiotensin III]. Nihon Rinsho. 1999 Dec;57 Suppl:382-5. | 2. Ruiz-Ortega M, Lorenzo O, Ruperez M, Esteban V, Suzuki Y, Mezzano S, Plaza JJ, Egido J: Role of the renin-angiotensin system in vascular diseases: expanding the field. Hypertension. 2001 Dec 1;38(6):1382-7. | 3. Llorens-Cortes C, Mendelsohn FA: Organisation and functional role of the brain angiotensin system. J Renin Angiotensin Aldosterone Syst. 2002 Sep;3 Suppl 1:S39-48. | 4. Vauquelin G, Michotte Y, Smolders I, Sarre S, Ebinger G, Dupont A, Vanderheyden P: Cellular targets for angiotensin II fragments: pharmacological and molecular evidence. J Renin Angiotensin Aldosterone Syst. 2002 Dec;3(4):195-204. | 5. Haulica I, Petrescu G, Slatineanu SM, Bild W, Mihaila CN, Ionita T: New bioactive angiotensins formation pathways and functional involvements. Rom J Intern Med. 2004;42(1):27-40. | 6. Reaux-Le Goazigo A, Iturrioz X, Fassot C, Claperon C, Roques BP, Llorens-Cortes C: Role of angiotensin III in hypertension. Curr Hypertens Rep. 2005 Apr;7(2):128-34. | 7. Nomura S, Ito T, Yamamoto E, Sumigama S, Iwase A, Okada M, Shibata K, Ando H, Ino K, Kikkawa F, Mizutani S: Gene regulation and physiological function of placental leucine aminopeptidase/oxytocinase during pregnancy. Biochim Biophys Acta. 2005 Aug 1;1751(1):19-25. | 8. Martinez-Martos JM, Ramirez-Exposito MJ: Dietary fat and hypertension: a novel approach through the proteolytic regulatory enzymes of the renin-angiotensin-system. Cardiovasc Hematol Agents Med Chem. 2006 Jul;4(3):263-76. | 9. Banegas I, Prieto I, Vives F, Alba F, de Gasparo M, Segarra AB, Hermoso F, Duran R, Ramirez M: Brain aminopeptidases and hypertension. J Renin Angiotensin Aldosterone Syst. 2006 Sep;7(3):129-34. | 10. Skeggs LT, Dorer FE, Kahn JR, Lentz KE, Levine M: The biochemistry of the renin-angiotensin system and its role in hypertension. Am J Med. 1976 May 31;60(6):737-48. | 11. Hanley MR, Cheung WT, Hawkins P, Poyner D, Benton HP, Blair L, Jackson TR, Goedert M: The mas oncogene as a neural peptide receptor: expression, regulation and mechanism of action. Ciba Found Symp. 1990;150:23-38; discussion 38-46. | 12. Symonds EM: Renin and reproduction. Am J Obstet Gynecol. 1988 Apr;158(4):754-61. | 13. Levens NR: Control of intestinal absorption by the renin-angiotensin system. Am J Physiol. 1985 Jul;249(1 Pt 1):G3-15. | 14. Dimitrov T: [Renin-angiotensin system blockers]. Eksp Med Morfol. 1982;21(2):49-54. | 15. Stokes GS: The renin angiotensin system--its physiology and role in disease states. Anaesth Intensive Care. 1983 Nov;11(4):369-76. | 16. Ganong WF: The brain renin-angiotensin system. Annu Rev Physiol. 1984;46:17-31. | 17. Smith RD, Timmermans PB: Human angiotensin receptor subtypes. Curr Opin Nephrol Hypertens. 1994 Jan;3(1):112-22. | 18. Wright JW, Harding JW: Brain angiotensin receptor subtypes in the control of physiological and behavioral responses. Neurosci Biobehav Rev. 1994 Spring;18(1):21-53. | 19. Wada N, Kubo M, Kijima H, Yamane Y, Nishikawa T, Sasano H, Koike T: A case of deoxycorticosterone-producing adrenal adenoma. Endocr J. 1995 Oct;42(5):637-42. | 20. Mosimann R, Imboden H, Felix D: The neuronal role of angiotensin II in thirst, sodium appetite, cognition and memory. Biol Rev Camb Philos Soc. 1996 Nov;71(4):545-59. | 21. Wright JW, Harding JW: Important role for angiotensin III and IV in the brain renin-angiotensin system. Brain Res Brain Res Rev. 1997 Sep 30;25(1):96-124. | 22. Dimitrov Y, Muller S, Hannedouche T: [Renal effects of AT1 angiotensin receptor antagonists (AT1ra)]. Presse Med. 1997 Dec 20;26(40):1981-6. | 23. Moeller I, Allen AM, Chai SY, Zhuo J, Mendelsohn FA: Bioactive angiotensin peptides. J Hum Hypertens. 1998 May;12(5):289-93. | 24. Chansel D, Ardaillou R: [Active metabolites derived from angiotensin II]. Nephrologie. 1998;19(7):427-32. | 25. Gard PR: Angiotensin as a target for the treatment of Alzheimer's disease, anxiety and depression. Expert Opin Ther Targets. 2004 Feb;8(1):7-14. | 26. Arita M: [Angiotensin I, angiotensin II, angiotensin III]. Nihon Rinsho. 2005 Aug;63 Suppl 8:564-7. | 27. Kono T: [Diagnostic tests for endocrine hypertension]. Rinsho Byori. 1984 Jan;Spec No 58:144-55. | 28. Ruiz-Ortega M, Esteban V, Egido J: The regulation of the inflammatory response through nuclear factor-kappab pathway by angiotensin IV extends the role of the renin angiotensin system in cardiovascular diseases. Trends Cardiovasc Med. 2007 Jan;17(1):19-25. | 29. Reaux A, Fournie-Zaluski MC, Llorens-Cortes C: Angiotensin III: a central regulator of vasopressin release and blood pressure. Trends Endocrinol Metab. 2001 May-Jun;12(4):157-62. |
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