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Bovine Metabolome Database



Showing metabocard for Adenine (BMDB00034)

Legend: metabolite field enzyme field

Version 1.0
Creation Date 2005-11-16 15:48:42
Update Date 2009-06-17 16:43:46
Accession Number BMDB00034
Common Name Adenine
Description Adenine is a purine base. Adenine is found in both DNA and RNA. Adenine is a fundamental component of adenine nucleotides. Adenine forms adenosine, a nucleoside, when attached to ribose, and deoxyadenosine when attached to deoxyribose; it forms adenosine triphosphate (ATP), a nucleotide, when three phosphate groups are added to adenosine. Adenosine triphosphate is used in cellular metabolism as one of the basic methods of transferring chemical energy between chemical reactions. Purine inborn errors of metabolism (IEM) are serious hereditary disorders, which should be suspected in any case of neonatal fitting, failure to thrive, recurrent infections, neurological deficit, renal disease, self-mutilation and other manifestations. Investigation usually starts with uric acid (UA) determination in urine and plasma. (OMIM 300322, 229600, 603027, 232400, 232600, 232800, 201450, 220150, 232200, 162000, 164050, 278300). (PMID: 17052198, 17520339)
Synonyms
  1. 1,6-Dihydro-6-iminopurine
  2. 1H-Purin-6-amine
  3. 1H-Purine-6-amine
  4. 3,6-Dihydro-6-iminopurine
  5. 6-Amino-1H-purine
  6. 6-Amino-3H-purine
  7. 6-Amino-7H-purine
  8. 6-Amino-9H-purine
  9. 6-Aminopurine
  10. 6-amino-Purine
  11. 9H-Purin-6-amine
  12. 9H-Purin-6-yl-amin
  13. 9H-Purine-6-amine
  14. 9H-purin-6-ylamine
  15. Ade
  16. Adenin
  17. Adenine
  18. Adeninimine
  19. Vitamin B4
Chemical IUPAC Name 7H-purin-6-amine
Chemical Formula C5H5N5
Chemical Structure Structure
Chemical Taxonomy
Kingdom
  • Organic
Super Class
  • Nucleosides and Nucleoside conjugates
Class
  • Purines and Purine Derivatives
Sub Class
  • Miscellaneous purines
Family
  • Mammalian_Metabolite
Species
  • primary amine; primary aromatic amine; aromatic compound; heterocyclic compound
Biofunction
  • DNA component; Component of Purine metabolism
Application
Source
  • Endogenous
Average Molecular Weight 135.127
Monoisotopic Molecular Weight 135.054489
Isomeric SMILES NC1=NC=NC2=C1NC=N2
Canonical SMILES NC1=NC=NC2=C1NC=N2
KEGG Compound ID C00147 Link Image
BioCyc ID ADENINE Link Image
BiGG ID 34039 Link Image
Wikipedia Link Adenine Link Image
METLIN ID 85 Link Image
PubChem Compound 190 Link Image
PubChem Substance 8144939 Link Image
ChEBI ID 16708 Link Image
CAS Registry Number 73-24-5
InChI Identifier InChI=1/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
Synthesis Reference Baddiley, J.; Lythgoe, B.; Todd, A. R. Synthesis of purine nucleosides. II. A new and convenient synthesis of adenine. Journal of the Chemical Society (1943), 386-7.
Melting Point (Experimental) 360 oC
Experimental Water Solubility 1.03 mg/mL [YALKOWSKY,SH & DANNENFELSER,RM (1992)] Source: PhysProp
Predicted Water Solubility 11.5 mg/mL [Predicted by ALOGPS] Calculated using ALOGPS
Physiological Charge 0
State Solid
Experimental LogP/Hydrophobicity -0.09 [HANSCH,C ET AL. (1995)] Source: PhysProp
Predicted LogP/Hydrophobicity -0.38 [Predicted by ALOGPS]; -0.3 [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 1AHA Link Image
Experimental PDB File Show
Experimental PDB Structure
Experimental 1H NMR Spectrum Download Spectrum
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Experimental 13C NMR Spectrum Not Available
Experimental 13C HSQC Spectrum Download Spectrum
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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
Low Energy
Download File
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Medium Energy
Download File
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High Energy
Download File
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Simplified TOCSY Spectrum Not Available
BMRB Spectrum Show Image
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Cellular Location
  • Cytoplasm
  • Nucleus
  • Extracellular
  • lysosome
Biofluid Location Not Available
Tissue Location
Tissue References
All Tissues
Concentrations (Normal) Not Available
Concentrations (Abnormal) Not Available
Pathway Names
  • Purine Metabolism
HMDB Pathways
Name Purine Metabolism
Image Show Link Image
KEGG Pathways
Name Purine Metabolism
Image Show Link Image
SimCell Pathways
Name Purine Metabolism
Image Show Link Image
Graph Show Link Image
SBML Download (XML) Link Image
General References
  1. Wikipedia Link Image
Metabolic Enzymes
  1. Adenine phosphoribosyltransferase
  2. D-aspartate oxidase
  3. P2Y purinoceptor 1
  4. Solute carrier family 25 (Mitochondrial carrier
Enzyme 1 [top]
Enzyme 1 ID 108
Enzyme 1 Name Adenine phosphoribosyltransferase
Enzyme 1 Synonyms
  1. APRT
Enzyme 1 Gene Name APRT
Enzyme 1 Protein Sequence >Adenine phosphoribosyltransferase
MADPELQLVARRIRSFPNFPIPGVLFRDISPVLKDPTSFRASINLLANHLKKAHGGRIDY
IAGLDSRGFLFGPSLAQELGLGCILIRKRGKLPGPTVCASYALEYGKGELEIQRDALEPG
QKVVVVDDLLATGGTMCAACELLGQLRAEVLECVSLVELTSLKGREKLGAVPFFSLLQYE
Enzyme 1 Number of Residues 180
Enzyme 1 Molecular Weight 19536.6
Enzyme 1 Theoretical pI 7.85
Enzyme 1 GO Classification
Function
Process
Component
Enzyme 1 General Function Nucleotide transport and metabolism
Enzyme 1 Specific Function Catalyzes a salvage reaction resulting in the formation of AMP, that is energically less costly than de novo synthesis
Enzyme 1 Pathways
  • Purine metabolism
  • AMP biosynthesis via salvage pathway
  • AMP from adenine:step 1/1
Enzyme 1 Reactions Not Available
Enzyme 1 Pfam Domain Function
Enzyme 1 Signals
  • None
Enzyme 1 Transmembrane Regions
  • None
Enzyme 1 Essentiality Not Available
Enzyme 1 GenBank ID Protein 58760446 Link Image
Enzyme 1 UniProtKB/Swiss-Prot ID Q56JW4 Link Image
Enzyme 1 UniProtKB/Swiss-Prot Entry Name APT_BOVIN Link Image
Enzyme 1 PDB ID Not Available
Enzyme 1 Cellular Location Not Available
Enzyme 1 Gene Sequence >543 bp
ATGGCGGATCCTGAGCTGCAGCTGGTGGCGCGGCGCATCCGCAGTTTCCCCAACTTCCCC
ATCCCGGGCGTGCTGTTCAGGGACATCTCGCCCGTCCTGAAGGACCCCACCTCTTTCCGC
GCCTCCATCAACCTCCTGGCGAATCACCTGAAAAAGGCCCACGGCGGCAGGATCGACTAC
ATCGCGGGCCTAGACTCACGCGGTTTCCTGTTTGGTCCATCCCTGGCCCAGGAGCTGGGT
TTGGGCTGCATTCTCATCCGCAAGCGAGGGAAGCTGCCAGGCCCCACCGTGTGCGCCTCA
TATGCGTTGGAATACGGGAAGGGTGAACTGGAGATCCAGAGAGATGCCCTGGAACCAGGG
CAGAAGGTGGTGGTTGTGGACGACCTGCTTGCCACTGGTGGAACCATGTGCGCAGCCTGT
GAGCTGCTGGGCCAGCTGCGGGCTGAGGTGCTGGAGTGTGTAAGCCTGGTGGAGCTGACC
TCACTGAAGGGCAGGGAGAAGCTGGGGGCTGTGCCCTTCTTCTCCCTCCTGCAGTACGAG
TGA
Enzyme 1 GenBank Gene ID AY911367 Link Image
Enzyme 1 GeneCard ID APRT Link Image
Enzyme 1 GenAtlas ID Not Available
Enzyme 1 HGNC ID Not Available
Enzyme 1 Chromosome Location Chromosome:1
Enzyme 1 Locus 16q24
Enzyme 1 SNPs SNPJam Report Link Image
Enzyme 1 General References Not Available
Enzyme 1 Metabolite References Not Available
Enzyme 2 [top]
Enzyme 2 ID 618
Enzyme 2 Name D-aspartate oxidase
Enzyme 2 Synonyms
  1. DASOX
  2. DDO
Enzyme 2 Gene Name DDO
Enzyme 2 Protein Sequence >D-aspartate oxidase
MDTVRIAVVGAGVMGLSTAVCISKMVPGCSITVISDKFTPETTSDVAAGMLIPPTYPDTP
IQKQKQWFKETFDHLFAIVNSAEAEDAGVILVSGWQIFQSIPTEEVPYWADVVLGFRKMT
KDELKKFPQHVFGHAFTTLKCEGPAYLPWLQKRVKGNGGLILTRRIEDLWELHPSFDIVV
NCSGLGSRQLAGDSKIFPVRGQVLKVQAPWVKHFIRDSSGLTYIYPGVSNVTLGGTRQKG
DWNLSPDAEISKEILSRCCALEPSLRGAYDLREKVGLRPTRPSVRLEKELLAQDSRRLPV
VHHYGHGSGGIAMHWGTALEATRLVNECVQVLRTPAPKSKL
Enzyme 2 Number of Residues 341
Enzyme 2 Molecular Weight 37659.3
Enzyme 2 Theoretical pI 8.84
Enzyme 2 GO Classification
Function
Process
Component
Enzyme 2 General Function Amino acid transport and metabolism
Enzyme 2 Specific Function D-aspartate + H(2)O + O(2) = oxaloacetate + NH(3) + H(2)O(2)
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 1941921 Link Image
Enzyme 2 UniProtKB/Swiss-Prot ID P31228 Link Image
Enzyme 2 UniProtKB/Swiss-Prot Entry Name OXDD_BOVIN Link Image
Enzyme 2 PDB ID Not Available
Enzyme 2 Cellular Location Not Available
Enzyme 2 Gene Sequence >1026 bp
ATGGATACAGTACGGATTGCAGTTGTGGGGGCTGGCGTGATGGGGCTTTCTACCGCTGTG
TGCATTTCCAAAATGGTCCCAGGATGCTCCATTACAGTCATTTCAGACAAATTCACTCCT
GAGACCACGAGTGATGTGGCAGCTGGAATGCTTATTCCTCCTACTTATCCAGACACACCC
ATTCAGAAGCAGAAGCAGTGGTTCAAAGAGACCTTTGATCACCTGTTTGCAATAGTCAAT
TCTGCAGAAGCTGAAGATGCTGGTGTTATTTTGGTGTCTGGTTGGCAGATATTTCAGAGT
ATTCCTACTGAAGAAGTGCCATACTGGGCTGACGTGGTGCTAGGATTTCGAAAGATGACC
AAGGATGAGCTGAAGAAATTCCCCCAACATGTGTTTGGTCATGCTTTTACGACACTCAAG
TGTGAAGGCCCTGCCTACCTCCCGTGGTTGCAGAAAAGGGTAAAAGGAAATGGGGGCCTG
ATACTCACCCGACGAATAGAAGACCTGTGGGAGCTTCACCCGTCCTTCGACATCGTGGTC
AACTGTTCAGGCCTTGGAAGCAGGCAGCTTGCAGGAGACTCAAAGATTTTCCCAGTGAGG
GGCCAAGTACTCAAAGTGCAGGCTCCCTGGGTCAAGCACTTTATCCGAGATAGCAGTGGG
CTGACATATATTTACCCTGGCGTATCCAATGTAACCCTGGGTGGCACTAGGCAAAAAGGA
GACTGGAATTTGTCCCCAGATGCAGAAATTAGCAAAGAGATTCTTTCCCGATGCTGTGCC
CTCGAGCCCTCTCTCCGTGGAGCCTATGACCTAAGAGAGAAAGTGGGTTTGAGGCCCACT
AGGCCAAGCGTACGGCTGGAGAAAGAGCTACTAGCTCAGGACAGCCGGAGGCTGCCTGTG
GTCCATCACTATGGCCATGGAAGTGGGGGCATCGCCATGCACTGGGGCACTGCTCTGGAG
GCCACCAGGCTGGTGAACGAGTGTGTCCAAGTCCTTAGGACTCCTGCTCCCAAGTCAAAG
CTGTAG
Enzyme 2 GenBank Gene ID X95310 Link Image
Enzyme 2 GeneCard ID DDO Link Image
Enzyme 2 GenAtlas ID Not Available
Enzyme 2 HGNC ID Not Available
Enzyme 2 Chromosome Location Chromosome:6
Enzyme 2 Locus 6q21
Enzyme 2 SNPs SNPJam Report Link Image
Enzyme 2 General References
  1. [PubMed Link Image]
Enzyme 2 Metabolite References Not Available
Enzyme 3 [top]
Enzyme 3 ID 1342
Enzyme 3 Name P2Y purinoceptor 1
Enzyme 3 Synonyms
  1. P2Y1
  2. Purinergic receptor
  3. ATP receptor
Enzyme 3 Gene Name P2RY1
Enzyme 3 Protein Sequence >P2Y purinoceptor 1
MTEVLWPAVPNGTDTAFLADPGSPWGNSTVTSTAAVASPFKCALTKTGFQFYYLPAVYIL
VFIIGFLGNSVAIWMFVFHMKPWSGISVYMFNLALADFLYVLTLPALIFYYFNKTDWIFG
DAMCKLQRFIFHVNLYGSILFLTCISAHRYSGVVYPLKSLGRLKKKNAVYISVLVWLIVV
VGISPILFYSGTGIRKNKTITCYDTTSDEYLRSYFIYSMCTTVAMFCVPLVLILGCYGLI
VRALIYKDLDNSPLRRKSIYLVIIVLTVFAVSYIPFHVMKTMNLRARLDFQTPEMCAFND
RVYATYQVTRGLASLNSCVDPILYFLAGDTFRRRLSRATRKASRRSEANLQSKSEDMTLN
ILSEFKQNGDTSL
Enzyme 3 Number of Residues 373
Enzyme 3 Molecular Weight 42287.3
Enzyme 3 Theoretical pI 9.54
Enzyme 3 GO Classification
Function
Process
Component
Enzyme 3 General Function Involved in purinergic nucleotide receptor activity, G-
Enzyme 3 Specific Function Receptor for extracellular adenine nucleotides such as ATP and ADP
Enzyme 3 Pathways Not Available
Enzyme 3 Reactions Not Available
Enzyme 3 Pfam Domain Function
Enzyme 3 Signals
  • None
Enzyme 3 Transmembrane Regions
  • 53-74 88-109 127-147 167-188 219-238 266-285 304-328
Enzyme 3 Essentiality Not Available
Enzyme 3 GenBank ID Protein 1032485 Link Image
Enzyme 3 UniProtKB/Swiss-Prot ID P48042 Link Image
Enzyme 3 UniProtKB/Swiss-Prot Entry Name P2RY1_BOVIN Link Image
Enzyme 3 PDB ID Not Available
Enzyme 3 Cellular Location Not Available
Enzyme 3 Gene Sequence >1122 bp
ATGACCGAGGTGCTGTGGCCGGCGGTCCCCAACGGGACGGACACTGCCTTCCTTGCCGAC
CCTGGTTCGCCCTGGGGAAACAGCACAGTGACTTCCACCGCCGCCGTCGCCAGCCCGTTC
AAATGCGCGCTGACCAAGACAGGCTTCCAGTTCTACTACCTGCCAGCTGTCTACATCTTG
GTGTTCATTATCGGCTTCCTGGGCAACAGCGTGGCCATCTGGATGTTCGTCTTCCACATG
AAGCCGTGGAGCGGCATCTCCGTGTACATGTTCAACTTGGCCCTGGCCGACTTCTTGTAC
GTGCTGACTCTGCCGGCGCTCATCTTCTACTACTTCAATAAGACCGACTGGATCTTTGGG
GATGCCATGTGCAAGCTGCAGAGGTTCATCTTCCACGTGAACCTCTATGGCAGCATCTTA
TTCCTGACCTGCATTAGCGCGCACCGGTACAGCGGCGTGGTGTACCCGCTCAAGTCCCTG
GGTAGGCTCAAGAAGAAGAACGCGGTCTATATTAGCGTGCTGGTGTGGCTCATCGTGGTG
GTGGGCATCTCCCCCATCCTCTTCTACTCTGGCACCGGGATCCGGAAAAACAAAACCATC
ACCTGCTATGACACCACCTCAGACGAGTACCTGCGAAGTTATTTCATCTATAGTATGTGC
ACGACCGTGGCCATGTTCTGTGTCCCCTTGGTGCTGATTTTGGGCTGTTACGGATTAATT
GTGAGAGCTCTGATTTACAAAGACCTGGACAATTCGCCTCTGAGGAGGAAATCCATTTAC
CTGGTGATTATTGTACTGACTGTTTTTGCTGTGTCTTACATCCCTTTCCACGTGATGAAA
ACAATGAATTTGAGGGCCCGGCTGGATTTTCAGACCCCAGAAATGTGTGCTTTCAATGAT
AGGGTGTATGCCACTTATCAGGTGACAAGAGGTCTAGCAAGTCTCAACAGTTGTGTGGAC
CCCATTCTCTATTTCTTGGCAGGAGATACTTTCAGAAGGAGACTCTCCCGAGCCACCAGG
AAGGCTTCCAGAAGAAGTGAGGCAAACTTGCAGTCCAAGAGTGAAGACATGACACTCAAT
ATTTTATCAGAGTTCAAGCAGAATGGAGATACAAGCTTGTGA
Enzyme 3 GenBank Gene ID X87628 Link Image
Enzyme 3 GeneCard ID P2RY1 Link Image
Enzyme 3 GenAtlas ID Not Available
Enzyme 3 HGNC ID Not Available
Enzyme 3 Chromosome Location Chromosome:3
Enzyme 3 Locus 3q25.2
Enzyme 3 SNPs SNPJam Report Link Image
Enzyme 3 General References
  1. [PubMed Link Image]
Enzyme 3 Metabolite References Not Available
Enzyme 4 [top]
Enzyme 4 ID 1343
Enzyme 4 Name Solute carrier family 25 (Mitochondrial carrier
Enzyme 4 Synonyms
  1. adenine nucleotide translocator), member 4
Enzyme 4 Gene Name SLC25A4
Enzyme 4 Protein Sequence >Solute carrier family 25 (Mitochondrial carrier
MSDQALSFLKDFLAGGVAAAISKTAVAPIERVKLLLQVQHASKQISAEKQYKGIIDCVVR
IPKEQGFLSFWSGNLANVIRYFPTQALNFAFKDKYKQIFLGGVDRHKQFWRYFAGNLASG
GAAGATSLCFVYPLDFARTRLAADVGKGAAQREFTGLGNCITKIFKSDGLRGLYQGFNVS
VQGIIIYRAAYFGVYDTAKGMLPDPKNVHIIVSWMIAQTVTAVAGLVSYPFDTVRRRMMM
QSGRKGADIMYTGTVDCWRKIAKDEGPKAFFKGAWSNVLRGMGGAFVLVLYDEIKKFV
Enzyme 4 Number of Residues 298
Enzyme 4 Molecular Weight 32898.1
Enzyme 4 Theoretical pI 10.31
Enzyme 4 GO Classification
Function
Process
Component
Enzyme 4 General Function Involved in binding
Enzyme 4 Specific Function Not Available
Enzyme 4 Pathways Not Available
Enzyme 4 Reactions Not Available
Enzyme 4 Pfam Domain Function
Enzyme 4 Signals
  • None
Enzyme 4 Transmembrane Regions
  • None
Enzyme 4 Essentiality Not Available
Enzyme 4 GenBank ID Protein 158455003 Link Image
Enzyme 4 UniProtKB/Swiss-Prot ID Q3ZC05 Link Image
Enzyme 4 UniProtKB/Swiss-Prot Entry Name Q3ZC05_BOVIN Link Image
Enzyme 4 PDB ID 1OKC Link Image
Enzyme 4 PDB File Show
Enzyme 4 3D Structure
Enzyme 4 Cellular Location Not Available
Enzyme 4 Gene Sequence >897 bp
ATGAGCGATCAGGCTCTGAGCTTCCTGAAGGACTTCTTGGCCGGCGGCGTGGCCGCTGCC
ATCTCCAAGACTGCTGTCGCGCCCATCGAGAGGGTCAAACTGCTGCTGCAGGTCCAGCAT
GCCAGCAAACAGATCAGTGCTGAGAAGCAGTACAAAGGGATCATTGATTGCGTGGTGAGA
ATCCCCAAGGAGCAGGGCTTTCTCTCCTTCTGGAGTGGTAACCTGGCCAACGTGATCCGT
TACTTCCCCACCCAAGCTCTCAACTTCGCCTTCAAGGACAAGTACAAGCAGATCTTCCTG
GGGGGCGTGGACCGGCATAAGCAGTTCTGGCGCTACTTTGCCGGTAACCTGGCCTCCGGT
GGGGCAGCTGGGGCCACCTCCCTCTGCTTTGTCTACCCGCTGGACTTCGCTAGGACCAGG
CTGGCTGCCGACGTGGGCAAGGGTGCCGCCCAGCGGGAGTTCACTGGTCTGGGCAACTGT
ATCACCAAGATCTTCAAGTCTGATGGCCTGAGGGGCCTCTACCAGGGTTTCAACGTCTCG
GTCCAGGGCATCATTATCTACAGAGCCGCCTACTTTGGAGTCTATGATACGGCCAAGGGG
ATGCTGCCTGACCCCAAGAATGTGCACATTATCGTGAGCTGGATGATTGCCCAGACTGTG
ACGGCGGTCGCGGGGCTCGTGTCCTACCCCTTTGACACTGTCCGCCGTAGGATGATGATG
CAGTCTGGCCGGAAAGGGGCTGATATCATGTACACTGGGACAGTGGACTGCTGGAGGAAG
ATTGCAAAAGATGAAGGACCCAAGGCTTTCTTCAAAGGTGCCTGGTCCAACGTACTGAGA
GGCATGGGCGGTGCTTTTGTATTGGTATTGTATGATGAGATCAAAAAGTTTGTCTAA
Enzyme 4 GenBank Gene ID BC102994 Link Image
Enzyme 4 GeneCard ID SLC25A4 Link Image
Enzyme 4 GenAtlas ID Not Available
Enzyme 4 HGNC ID Not Available
Enzyme 4 Chromosome Location Chromosome:4
Enzyme 4 Locus 4q35
Enzyme 4 SNPs SNPJam Report Link Image
Enzyme 4 General References Not Available
Enzyme 4 Metabolite References Not Available