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Bovine Rumen Metabolome Database



Showing metabocard for Histamine (RMDB00870)

Legend: metabolite field enzyme field

Version 1.0
Creation Date 2005-11-16 15:48:42
Update Date 2009-05-05 20:58:18
Accession Number RMDB00870
Common Name Histamine
Description An amine derived by enzymatic decarboxylation of histidine. It is a powerful stimulant of gastric secretion, a constrictor of bronchial smooth muscle, a vasodilator, and also a centrally acting neurotransmitter.
Synonyms
  1. 1H-Imidazole-4-ethanamine
  2. 2-(1H-Imidazol-4-yl)ethanamine
  3. 2-(1H-Imidazol-4-yl)ethylamine
  4. 2-(1H-Imidazol-5-yl)ethanamine
  5. 2-(1H-Imidazol-5-yl)ethylamine
  6. 2-(4-Imidazolyl)ethanamine
  7. 2-(4-Imidazolyl)ethylamine
  8. 2-imidazol-4-yl-Ethylamine
  9. 2-imidazol-4-ylethylamine
  10. 4-(2-Aminoethyl)-1H-imidazole
  11. 4-(2-Aminoethyl)imidazole
  12. 4-Imidazoleethylamine
  13. 5-Imidazoleethylamine
  14. b-Imidazolyl-4-ethylamine
  15. beta-Aminoethylglyoxaline
  16. beta-Aminoethylimidazole
  17. beta-aminothethylglyoxaline
  18. beta-Imidazolyl-4-ethylamine
  19. Eramin
  20. Ergamine
  21. Ergotidine
  22. Free histamine
  23. Histamine
  24. HSM
  25. L-Histamin base
  26. L-Histamine
  27. Theramine
Chemical IUPAC Name 2-(3H-imidazol-4-yl)ethanamine
Chemical Formula C5H9N3
Chemical Structure Structure
Chemical Taxonomy
Kingdom
  • Organic
Super Class
  • Amino acids and Amino Acid conjugates
Class
  • Imidazoles; Aliphatic and Aryl Amines
Sub Class
  • NA
Family
  • Mammalian_Metabolite
Species
  • primary amine; primary aliphatic amine (alkylamine); aromatic compound; heterocyclic compound
Biofunction
  • Component of Histidine metabolism
Application
Source
  • Endogenous
Average Molecular Weight 111.145
Monoisotopic Molecular Weight 111.079643
Isomeric SMILES NCCC1=CNC=N1
Canonical SMILES NCCC1=CNC=N1
KEGG Compound ID C00388 Link Image
BioCyc ID HISTAMINE Link Image
BiGG ID 1810403 Link Image
Wikipedia Link Histamine Link Image
METLIN ID 68 Link Image
PubChem Compound 774 Link Image
PubChem Substance 10524836 Link Image
ChEBI ID 18295 Link Image
CAS Registry Number 51-45-6
InChI Identifier InChI=1/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
Synthesis Reference Pyman, Frank L. 2-Thiol-4(5)-b-aminoethylglyoxaline (2-thiolhistamine). Journal of the Chemical Society (1930), 98-100.
Melting Point (Experimental) 86 oC
Experimental Water Solubility Not Available Source: PhysProp
Predicted Water Solubility 1000 mg/mL at 25 oC [MEYLAN,WM et al. (1996)]; 169.0 mg/mL [Predicted by ALOGPS] Calculated using ALOGPS
Physiological Charge 1
State Solid
Experimental LogP/Hydrophobicity -0.70 [SANGSTER (1993)] Source: PhysProp
Predicted LogP/Hydrophobicity -0.69 [Predicted by ALOGPS]; -0.7 [Predicted by PubChem via XLOGP] Calculated using ALOGPS
Material Safety Data Sheet (MSDS)
MOL File Show Link Image
SDF File Show Link Image
PDB File Show Link Image
2D Structure
3D Structure
Experimental PDB ID 1AVN Link Image
Experimental PDB File Show
Experimental PDB Structure
Experimental 1H NMR Spectrum Not Available
Experimental 13C NMR Spectrum Not Available
Experimental 13C HSQC Spectrum Not Available
Predicted 1H NMR Spectrum Show Image
Show Peaklist
Predicted 13C NMR Spectrum Show Image
Show Peaklist
Mass Spectrum
Low Energy
Download File
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Medium Energy
Download File
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High Energy
Download File
Show Experimental Conditions Link Image
Simplified TOCSY Spectrum Not Available
BMRB Spectrum Not Available
Cellular Location
  • Cytoplasm (Predicted from Solubility)
  • Extracellular
Biofluid Location
  • Cow_Milk
  • Rumen
Tissue Location
Concentrations (Normal)
Biofluid Rumen
Value 5.07 +/- 6.37 uM
Age N/A
Sex N/A
Condition Normal
Breed Not Available
Experimental Condition Not Available
Comments Not Available
References
  • The rumen metabolome (in preparation)
Concentrations (Abnormal) Not Available
Pathway Names Not Available
HMDB Pathways Not Available
KEGG Pathways Not Available
SimCell Pathways Not Available
General References
  1. Wikipedia Link Image
Metabolic Enzymes
  1. Histamine N-methyltransferase
  2. Histidine decarboxylase
Enzyme 1 [top]
Enzyme 1 ID 122
Enzyme 1 Name Histamine N-methyltransferase
Enzyme 1 Synonyms
  1. HMT
Enzyme 1 Gene Name HNMT
Enzyme 1 Protein Sequence >Histamine N-methyltransferase
MASSMRSLFTDHSRYVESFRRFLSNSTEHQCMQEFMDKKLPGIIARIGDIKSEIKILSIG
GGAGEIDLQILSKVQAQYPGVHIINEVVEPSAEQITKYKELVAKTSNLENIKFAWHKETS
SEYQNRMMEKKELQRWDFIHMIQMLYYVKDIPATLKFFHSLLATNAKILIIIVSGASSWQ
KLWEKYGSRLPRNDLCQYVTSSDLTQMLDKLGIKYEYYDLLSTMDISDCFIDGNENGDLL
WDFLTETCNFNTTAPPDLKAEIMKDLQKPEFSIKKEGKVLFNNSLSFIVVEA
Enzyme 1 Number of Residues 292
Enzyme 1 Molecular Weight 33645.4
Enzyme 1 Theoretical pI 5.99
Enzyme 1 GO Classification
Function
Process
Component
Enzyme 1 General Function Involved in histamine N-methyltransferase activity
Enzyme 1 Specific Function Inactivates histamine by N-methylation. Plays an important role in degrading histamine and in regulating the airway response to histamine
Enzyme 1 Pathways Not Available
Enzyme 1 Reactions Not Available
Enzyme 1 Pfam Domain Function Not Available
Enzyme 1 Signals
  • None
Enzyme 1 Transmembrane Regions
  • None
Enzyme 1 Essentiality Not Available
Enzyme 1 GenBank ID Protein 61553027 Link Image
Enzyme 1 UniProtKB/Swiss-Prot ID Q58DV7 Link Image
Enzyme 1 UniProtKB/Swiss-Prot Entry Name HNMT_BOVIN Link Image
Enzyme 1 PDB ID Not Available
Enzyme 1 Cellular Location Not Available
Enzyme 1 Gene Sequence >879 bp
ATGGCATCTTCCATGAGGAGCCTGTTTACTGACCACAGCAGATACGTTGAGTCTTTCCGG
AGGTTTCTCAGCAATTCCACGGAGCACCAGTGTATGCAGGAATTCATGGACAAGAAGCTG
CCGGGCATAATAGCAAGGATTGGAGACATAAAATCTGAAATTAAGATTCTAAGCATTGGC
GGTGGTGCAGGTGAAATTGACCTTCAAATTCTCTCCAAAGTGCAAGCTCAGTACCCAGGA
GTTCATATCATCAATGAAGTTGTTGAACCAAGTGCTGAACAAATCACCAAGTACAAAGAG
CTTGTAGCAAAGACATCAAACCTTGAGAACATAAAGTTTGCTTGGCATAAAGAGACATCA
TCTGAATATCAAAATAGAATGATGGAGAAAAAAGAACTTCAGAGGTGGGACTTTATTCAT
ATGATTCAGATGCTGTATTATGTTAAAGACATCCCAGCTACCCTGAAATTCTTCCATAGT
CTCTTAGCTACCAATGCTAAGATTCTCATTATTATTGTGTCAGGAGCCAGCAGCTGGCAA
AAGCTATGGGAAAAGTATGGATCTCGCTTACCCCGGAATGACCTCTGCCAGTATGTCACA
TCATCTGACCTCACTCAGATGCTGGATAAGTTGGGGATTAAGTACGAGTATTATGACCTT
CTGTCCACCATGGACATATCTGACTGTTTTATTGATGGCAATGAAAATGGAGACCTGCTT
TGGGATTTTTTGACCGAAACCTGCAATTTTAATACAACAGCACCACCTGATCTCAAAGCA
GAAATTATGAAAGATCTGCAAAAGCCTGAATTCAGTATAAAGAAAGAGGGAAAGGTTCTT
TTCAATAACAGTCTGAGTTTCATAGTGGTTGAGGCATAA
Enzyme 1 GenBank Gene ID BT021490 Link Image
Enzyme 1 GeneCard ID HNMT Link Image
Enzyme 1 GenAtlas ID Not Available
Enzyme 1 HGNC ID Not Available
Enzyme 1 Chromosome Location Chromosome:2
Enzyme 1 Locus 2q22.1
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 561
Enzyme 2 Name Histidine decarboxylase
Enzyme 2 Synonyms
  1. HDC
Enzyme 2 Gene Name HDC
Enzyme 2 Protein Sequence >Histidine decarboxylase
MMEPEEYRERGKEMVDYICQYLTTVRERRVTPDVRPGYLRAQLPESAPMEPDSWDSIFGD
IERIIMPGVVHWQSPHMHAYYPALTSWPSLLGDMLADAINCLGFTWASSPACTELEMNVM
DWLAKMLGLPEHFLHHHPGSQGGGVLQSTVSESTLIALLAARKNKILEMKASEPEADESF
LNARLVAYASDQAHSSVEKAGLISLVKMKFLPVDENFSLRGEALQKAIKEDRERGLVPIF
VCATLGTTGVCAFDCLSELGPICAREGLWLHIDAAYAGTAFLCPEFRGFLKGIEYADSFT
FNPSKWMMVHFDCTGFWVKDKYKLQQTFSVDPVYLRHADSGVATDFMHWQIPLSRRFRSI
KLWFVIRSFGVKNLQAHVRHGTEMAKYFESLVRNDPFFEIPAKRHLGLVVFRLKGPNCLT
ESVLKEIAKAGRLFLIPATIQDKLIIRFTVTSQFTTRDDILRDWNLIQDAATLILSQHCT
SQPSPQGANLILQTRGPRALAKEMSFPSVNGAGDDPAHSRKIVMQPPRVGASPVSRHLET
LLDPLDDCFSEEAPDVTEHKLSSFLFSYLSVQNKRKAVRSLSCNSVPVSAQKQLTTEGSV
KNGSSSRVRIFSRFPEEVMMLKKSAFKKLIKFYSVPNFPECSSQCGLQLPCCPLQAMV
Enzyme 2 Number of Residues 658
Enzyme 2 Molecular Weight 73911.6
Enzyme 2 Theoretical pI 7.65
Enzyme 2 GO Classification
Function
Process
Component
Enzyme 2 General Function Amino acid transport and metabolism
Enzyme 2 Specific Function L-histidine = histamine + CO(2)
Enzyme 2 Pathways
  • Amine and polyamine biosynthesis
  • histamine biosynthesis
  • histamine from L-histidine:step 1/1
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 59857737 Link Image
Enzyme 2 UniProtKB/Swiss-Prot ID Q5EA83 Link Image
Enzyme 2 UniProtKB/Swiss-Prot Entry Name DCHS_BOVIN Link Image
Enzyme 2 PDB ID Not Available
Enzyme 2 Cellular Location Not Available
Enzyme 2 Gene Sequence >1977 bp
ATGATGGAGCCTGAAGAGTACAGAGAGAGAGGAAAGGAGATGGTGGACTACATCTGCCAG
TACCTGACCACTGTGCGGGAGCGGCGGGTGACTCCAGACGTGAGGCCTGGCTACCTGCGA
GCTCAGCTGCCTGAGAGTGCGCCCATGGAGCCCGACAGCTGGGACAGCATCTTTGGGGAC
ATTGAGCGAATCATCATGCCTGGGGTGGTGCACTGGCAAAGCCCCCATATGCATGCCTAC
TACCCAGCTCTCACCTCTTGGCCATCACTGCTGGGAGACATGCTGGCTGATGCCATCAAC
TGCTTGGGATTCACCTGGGCTTCCAGTCCTGCGTGCACGGAGCTGGAGATGAACGTCATG
GACTGGCTGGCAAAAATGCTGGGACTCCCGGAGCACTTCCTGCACCACCACCCTGGCAGC
CAGGGGGGAGGCGTCTTGCAGAGCACAGTCAGCGAGTCCACCTTGATCGCCTTGCTGGCA
GCAAGGAAGAACAAAATCCTGGAAATGAAAGCCTCTGAGCCTGAGGCGGATGAGTCCTTC
CTGAACGCCCGGCTTGTGGCCTATGCCTCCGACCAGGCCCACTCCTCGGTGGAAAAGGCT
GGTCTGATTTCCCTGGTCAAGATGAAATTTCTGCCTGTGGATGAGAACTTCTCGCTCCGA
GGGGAAGCTCTTCAGAAAGCCATCAAGGAGGACAGGGAAAGGGGCCTGGTGCCCATCTTT
GTCTGTGCAACGCTGGGGACCACTGGGGTCTGTGCATTTGACTGCCTGTCAGAGCTGGGC
CCCATCTGTGCCCGTGAGGGGCTGTGGCTGCACATTGACGCTGCCTACGCAGGCACTGCC
TTCCTGTGCCCCGAGTTCCGGGGCTTTCTGAAGGGCATCGAGTATGCCGATTCCTTCACC
TTTAACCCTTCCAAGTGGATGATGGTGCACTTTGACTGCACCGGCTTCTGGGTCAAGGAC
AAGTACAAGCTGCAGCAGACCTTCAGCGTAGACCCCGTCTACCTCAGGCACGCTGACTCG
GGCGTGGCCACCGACTTCATGCACTGGCAGATCCCCTTGAGCCGACGCTTTCGCTCTATT
AAACTCTGGTTCGTGATTCGGTCCTTTGGGGTGAAGAATCTTCAAGCGCATGTCAGACAT
GGCACGGAAATGGCTAAGTATTTTGAATCTCTGGTCAGAAATGACCCTTTCTTTGAAATT
CCTGCCAAGAGGCACCTTGGCCTGGTGGTTTTTCGTCTCAAGGGTCCTAACTGCCTCACA
GAAAGCGTGTTAAAGGAAATAGCTAAAGCTGGCCGTCTCTTCCTTATTCCAGCCACTATC
CAGGACAAGTTGATCATCCGTTTCACTGTGACATCCCAGTTCACCACCAGGGATGACATC
CTGAGAGACTGGAATCTCATTCAGGATGCTGCCACTCTCATCCTGAGTCAGCATTGTACT
TCCCAACCCAGCCCTCAGGGAGCGAACCTCATCCTCCAAACCAGGGGCCCCAGAGCCTTG
GCCAAGGAGATGTCCTTTCCCTCTGTCAACGGGGCAGGCGATGACCCAGCCCATTCCAGG
AAGATCGTCATGCAGCCTCCGCGTGTGGGAGCCAGTCCTGTGAGCCGGCATCTTGAAACC
CTGCTGGACCCACTGGATGACTGCTTCTCTGAAGAGGCTCCAGACGTCACTGAGCACAAG
CTGTCCTCCTTTCTGTTCAGTTATTTGTCTGTGCAGAACAAGAGGAAGGCAGTACGTTCC
CTCAGTTGCAATAGCGTGCCTGTGAGTGCTCAAAAGCAACTGACCACTGAAGGCTCTGTG
AAGAATGGCAGCTCCTCCCGGGTCAGAATCTTTTCTAGGTTCCCAGAAGAGGTGATGATG
CTGAAGAAGAGTGCCTTCAAAAAACTAATCAAGTTCTACAGTGTCCCCAACTTTCCTGAA
TGCAGCTCTCAGTGTGGGCTACAGCTGCCCTGCTGCCCTCTGCAGGCAATGGTTTAG
Enzyme 2 GenBank Gene ID BT020686 Link Image
Enzyme 2 GeneCard ID HDC Link Image
Enzyme 2 GenAtlas ID Not Available
Enzyme 2 HGNC ID Not Available
Enzyme 2 Chromosome Location Chromosome:1
Enzyme 2 Locus 15q21-q22
Enzyme 2 SNPs SNPJam Report Link Image
Enzyme 2 General References
  1. [PubMed Link Image]
Enzyme 2 Metabolite References Not Available