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Bovine Metabolome Database



Showing metabocard for Aldosterone (BMDB00037)

Legend: metabolite field enzyme field

Version 1.0
Creation Date 2005-11-16 15:48:42
Update Date 2009-05-05 20:57:39
Accession Number BMDB00037
Common Name Aldosterone
Description Aldosterone is a steroid hormone produced by the adrenal cortex in the adrenal gland to regulate sodium and potassium balance in the blood. Specifically it regulates electrolyte and water balance by increasing the renal retention of sodium and the excretion of potassium. It is synthesized from cholesterol by aldosterone synthase, which is absent in other sections of the adrenal gland. It is the sole endogenous member of the class of mineralocorticoids. Aldosterone increases the permeability of the apical (luminal) membrane of the kidney's collecting ducts to potassium and sodium and activates their basolateral Na+/K+ pumps, stimulating ATP hydrolysis, reabsorbing sodium (Na+) ions and water into the blood, and excreting potassium (K+) ions into the urine.
Synonyms
  1. (+)-Aldosterone
  2. (11b)-11,21-dihydroxy-3,20-dioxo-pregn-4-en-18-al
  3. (11beta)-11,21-dihydroxy-3,20-dioxo-Pregn-4-en-18-al
  4. 11,21-Dihydroxy-3,20-dioxopregn-4-en-18-al
  5. 11-hydroxy-17-(2-hydroxyacetyl)-10-methyl-3-oxo-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-13-carbaldehyde
  6. 11b,21-dihydroxy-3,20-dioxo-pregn-4-en-18-al
  7. 11beta,21-Dihydroxy-3,20-diketo-4-pregnen-18-al
  8. 11beta,21-Dihydroxy-3,20-diketopregn-4-ene-18-al
  9. 11beta,21-Dihydroxy-3,20-dioxo-pregn-4-en-18-al
  10. 11beta,21-Dihydroxypregn-4-ene-3,18,20-trione
  11. 18-Formyl-11beta,21-dihydroxy-4-pregnene-3,20-dione
  12. 18-Oxocorticosterone
  13. Aldocorten
  14. Aldocortene
  15. Aldocortin
  16. Aldosteronum
  17. Electrocortin
  18. Elektrocortin
  19. Reichstein X
  20. aldosterone
  21. d-Aldosterone
  22. delta-Aldosterone
Chemical IUPAC Name 11-hydroxy-17-(2-hydroxyacetyl)-10-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-13-carbaldehyde
Chemical Formula C21H28O5
Chemical Structure Structure
Chemical Taxonomy
Kingdom
  • Organic
Super Class
  • Cholesterols and derivatives
Class
  • Steroids and Steroid Derivatives
Sub Class
  • Ketosteroids
Family
  • Mammalian_Metabolite
Species
  • aldehyde; ketone; primary alcohol; secondary alcohol; alkene
Biofunction
  • Hormones, Membrane component
Application
Source
  • Endogenous
Average Molecular Weight 360.444
Monoisotopic Molecular Weight 360.193665
Isomeric SMILES C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=O)CO)[C@]3(C[C@H](O)C21)C=O
Canonical SMILES CC12CCC(=O)C=C1CCC1C3CCC(C(=O)CO)C3(CC(O)C21)C=O
KEGG Compound ID C01780 Link Image
BioCyc ID ALDOSTERONE Link Image
BiGG ID 38397 Link Image
Wikipedia Link Aldosterone Link Image
METLIN ID 418 Link Image
PubChem Compound 5839 Link Image
PubChem Substance 841789 Link Image
ChEBI ID 27584 Link Image
CAS Registry Number 52-39-1
InChI Identifier InChI=1/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14?,15?,16-,17+,19?,20+,21-/m1/s1
Synthesis Reference Bear, Brian R.; Parnes, Jason S.; Shea, Kenneth J. Progress toward the Total Synthesis of (+)-Aldosterone: Synthesis of the A-D Rings. Organic Letters (2003), 5(10), 1613-1616.
Melting Point (Experimental) 166.5 oC
Experimental Water Solubility 0.0512 mg/mL at 37 oC [YALKOWSKY,SH & DANNENFELSER,RM (1992)] Source: PhysProp
Predicted Water Solubility 0.148 mg/mL [Predicted by ALOGPS] Calculated using ALOGPS
Physiological Charge 0
State Solid
Experimental LogP/Hydrophobicity 1.08 [HANSCH,C ET AL. (1995)] Source: PhysProp
Predicted LogP/Hydrophobicity 1.54 [Predicted by ALOGPS]; 0.2 [Predicted by PubChem via XLOGP] Calculated using ALOGPS
Material Safety Data Sheet (MSDS)
MOL File Show
SDF File Show
PDB File Show
2D Structure
3D Structure
Experimental PDB ID Not Available
Experimental 1H NMR Spectrum Download Spectrum
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Experimental 13C NMR Spectrum Not Available
Experimental 13C HSQC Spectrum Download Spectrum
Download FID (Bruker)
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Predicted 1H NMR Spectrum Show Image
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Predicted 13C NMR Spectrum Show Image
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Mass Spectrum Not Available
Simplified TOCSY Spectrum Not Available
BMRB Spectrum Not Available
Cellular Location
  • Membrane
  • Cytoplasm
  • Extracellular
  • mitochondria
Biofluid Location Not Available
Tissue Location
Tissue References
Adipose Tissue
Adrenal Cortex
Adrenal Gland
Adrenal Medulla
Cardiovascular System
Fibroblasts
Intestine
Kidney
Lung
Muscle
Nerve Cells
Pancreas
Placenta
Platelet
Skeletal Muscle
Testes
Thyroid Gland
Concentrations (Normal) Not Available
Concentrations (Abnormal) Not Available
Pathway Names
  • C21 Steroid Hormone Metabolism
HMDB Pathways
Name C21 Steroid Hormone Metabolism
Image Show Link Image
KEGG Pathways
Name C21 Steroid Hormone Metabolism
Image Show Link Image
SimCell Pathways
Name C21 Steroid Hormone Metabolism
Image Show Link Image
Graph
SBML
General References
  1. Wikipedia Link Image
Metabolic Enzymes
  1. Prostaglandin E2 receptor EP4 subtype
  2. Natriuretic peptides B
Enzyme 1 [top]
Enzyme 1 ID 1608
Enzyme 1 Name Prostaglandin E2 receptor EP4 subtype
Enzyme 1 Synonyms
  1. PGE receptor, EP4 subtype
  2. Prostanoid EP4 receptor
Enzyme 1 Gene Name PTGER4
Enzyme 1 Protein Sequence >Prostaglandin E2 receptor EP4 subtype
MSIPGTNASSSQASNPLNSPVTIPAVMFIFGVVGNLVAIVVLCKSRKEQKETTFYTLVCG
LAVTDLLGTLLVSPVTIATYLKGQWPGGHALCEYSTFILLFFGLSGLSIICAMSIERYLA
INHAYFYSHYVDKRLAGLTLFAVYASNVLFCALPSMGLGSSRLQYPATWCFIDWTTNVTA
HAAFSYMYAGFSSFLILATVLCNVLVCGALLRMHRQFMRRTSLGTEQQHHAAAAAVALAP
TACRAPPAASSPALPRLSDFRRRRSFRRIAGAEIQMVILLIATSLVVLICSIPLVVRVFV
NQLYRPQLEPVIGKNPDLQAIRIASVSPILDPWIYILLRKTVLSKAIEKIKCLFCRIGGS
RRERSGPHCSDSRRTSSAVSGHSRSFLSRELKEISSTSQTLLYTPELSENGLGGGRNLLP
GVPGVGLTQIDSTSLRTLRISETSDSSQGQDSESFLLVDEVGGSCRAGPAPKGSSLQVTF
PSETLNLSEKCI
Enzyme 1 Number of Residues 492
Enzyme 1 Molecular Weight 53297.3
Enzyme 1 Theoretical pI 9.29
Enzyme 1 GO Classification
Function
Process
Component
Enzyme 1 General Function Involved in prostaglandin E receptor activity
Enzyme 1 Specific Function Receptor for prostaglandin E2 (PGE2). The activity of this receptor is mediated by G(s) proteins that stimulate adenylate cyclase. Has a relaxing effect on smooth muscle. May play an important role in regulating renal hemodynamics, intestinal epithelial transport, adrenal aldosterone secretion, and uterine function
Enzyme 1 Pathways Not Available
Enzyme 1 Reactions Not Available
Enzyme 1 Pfam Domain Function
Enzyme 1 Signals
  • None
Enzyme 1 Transmembrane Regions
  • 20-43 56-79 97-115 136-160 185-211 274-301 319-338
Enzyme 1 Essentiality Not Available
Enzyme 1 GenBank ID Protein 22536174 Link Image
Enzyme 1 UniProtKB/Swiss-Prot ID Q8MJ08 Link Image
Enzyme 1 UniProtKB/Swiss-Prot Entry Name PE2R4_BOVIN Link Image
Enzyme 1 PDB ID Not Available
Enzyme 1 Cellular Location Not Available
Enzyme 1 Gene Sequence >1479 bp
ATGTCCATTCCCGGGACCAATGCATCATCCTCCCAGGCCTCCAACCCACTGAACAGCCCA
GTGACCATCCCGGCGGTGATGTTCATCTTCGGGGTCGTGGGCAACCTGGTGGCCATCGTG
GTGCTCTGTAAATCGCGCAAGGAGCAGAAGGAGACAACTTTCTACACACTGGTATGCGGG
CTGGCGGTCACCGACCTGCTGGGTACGTTGCTGGTGAGCCCGGTGACCATCGCCACCTAC
TTGAAGGGCCAATGGCCCGGGGGCCACGCGCTGTGCGAATACAGCACCTTCATCCTGCTC
TTCTTTGGCCTGTCGGGGCTCAGCATCATCTGTGCGATGAGTATTGAGCGCTACCTGGCC
ATCAACCACGCCTACTTCTACAGCCACTACGTGGACAAGCGGCTGGCGGGGCTCACGCTC
TTCGCGGTCTACGCGTCCAACGTGCTCTTCTGCGCGCTGCCCAGCATGGGCCTGGGCAGT
TCGCGGCTGCAGTACCCGGCCACCTGGTGCTTCATCGACTGGACCACCAACGTGACAGCG
CACGCCGCCTTCTCCTACATGTATGCGGGCTTCAGTTCCTTCCTCATCCTCGCCACCGTG
CTCTGCAACGTGCTCGTGTGCGGCGCGCTGCTCCGCATGCACCGCCAGTTCATGCGCCGC
ACCTCGCTGGGCACCGAGCAGCAGCACCACGCGGCCGCCGCCGCCGTCGCCTTGGCCCCG
ACAGCCTGCCGGGCTCCCCCGGCCGCCTCCTCCCCCGCCCTGCCGCGCCTCAGCGACTTT
CGCCGCCGCCGGAGCTTCCGCCGCATCGCGGGCGCCGAGATCCAGATGGTCATCTTACTC
ATCGCCACCTCTCTGGTGGTGCTCATCTGCTCCATCCCGCTTGTGGTGCGAGTGTTCGTC
AACCAGTTATATCGGCCACAACTGGAGCCAGTCATCGGCAAAAACCCTGATTTGCAGGCC
ATCCGAATTGCTTCTGTGAGCCCCATTCTGGACCCCTGGATATACATCCTCCTGCGGAAG
ACAGTGCTCAGTAAAGCCATAGAGAAGATCAAATGCCTCTTCTGCCGCATCGGCGGGTCG
CGCCGGGAGCGTTCGGGGCCGCACTGCTCAGACAGCAGAAGGACGTCCTCCGCCGTGTCC
GGCCACTCCCGCTCCTTCCTCTCCCGGGAGCTGAAAGAGATCAGCAGCACGTCGCAGACC
CTCCTGTACACGCCAGAACTCAGTGAAAACGGCCTCGGGGGAGGCAGGAATCTGCTGCCA
GGTGTGCCCGGCGTGGGCCTGACCCAAATAGACAGCACGTCGCTTAGGACTCTGCGAATA
TCGGAGACCTCAGACTCCTCACAGGGGCAGGACTCGGAGAGCTTCTTACTGGTGGACGAG
GTTGGCGGGAGCTGCAGGGCTGGGCCCGCCCCTAAGGGGAGCTCCCTGCAAGTCACGTTT
CCCAGTGAAACGCTGAACTTATCAGAAAAATGTATATAG
Enzyme 1 GenBank Gene ID AF539403 Link Image
Enzyme 1 GeneCard ID PTGER4 Link Image
Enzyme 1 GenAtlas ID Not Available
Enzyme 1 HGNC ID Not Available
Enzyme 1 Chromosome Location Chromosome:5
Enzyme 1 Locus 5p13.1
Enzyme 1 SNPs SNPJam Report Link Image
Enzyme 1 General References
  1. [PubMed Link Image]
Enzyme 1 Metabolite References Not Available
Enzyme 2 [top]
Enzyme 2 ID 1980
Enzyme 2 Name Natriuretic peptides B
Enzyme 2 Synonyms
  1. Gamma-brain natriuretic peptide
  2. Aldosterone secretion inhibitory factor
  3. ASIF
  4. Brain natriuretic peptide 26
  5. BNP-26
Enzyme 2 Gene Name NPPB
Enzyme 2 Protein Sequence >Natriuretic peptides B
HPVGGPGPVSELPGLQELLDRLRDRVSELQAEQLRVEPLQQGQGLEETWDSPAAAPAGFL
GPHHSILRALRGPKMMRDSGCFGRRLDRIGSLSGLGCNVLRRY
Enzyme 2 Number of Residues 103
Enzyme 2 Molecular Weight 11248.7
Enzyme 2 Theoretical pI 8.25
Enzyme 2 GO Classification
Function
Process
Component
Enzyme 2 General Function Involved in hormone activity
Enzyme 2 Specific Function Acts as a cardiac hormone with a variety of biological actions including natriuresis, diuresis, vasorelaxation, and inhibition of renin and aldosterone secretion. It is thought to play a key role in cardiovascular homeostasis. Helps restore the body's salt and water balance. Improves heart function
Enzyme 2 Pathways Not Available
Enzyme 2 Reactions Not Available
Enzyme 2 Pfam Domain Function
Enzyme 2 Signals
  • None
Enzyme 2 Transmembrane Regions
  • None
Enzyme 2 Essentiality Not Available
Enzyme 2 GenBank ID Protein Not Available
Enzyme 2 UniProtKB/Swiss-Prot ID P13204 Link Image
Enzyme 2 UniProtKB/Swiss-Prot Entry Name ANFB_BOVIN Link Image
Enzyme 2 PDB ID Not Available
Enzyme 2 Cellular Location Not Available
Enzyme 2 Gene Sequence Not Available
Enzyme 2 GenBank Gene ID Not Available
Enzyme 2 GeneCard ID NPPB Link Image
Enzyme 2 GenAtlas ID Not Available
Enzyme 2 HGNC ID Not Available
Enzyme 2 Chromosome Location Chromosome:1
Enzyme 2 Locus 1p36.2
Enzyme 2 SNPs SNPJam Report Link Image
Enzyme 2 General References
  1. [PubMed Link Image]
Enzyme 2 Metabolite References Not Available