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Human Metabolome Database Version 2.5

 

Showing metabocard for 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate (HMDB06273)

Legend: metabolite field enzyme field

Version 2.5
Creation Date 2007-05-22 21:52:31
Update Date 2009-05-05 21:00:47
Accession Number HMDB06273
Secondary Accession Numbers Not Available
Common Name 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate
Description 5-amino-1-(5-phospho-D-ribosyl) imidazole-4-carboxylate is an intermediate in purine metabolism. 5-amino-1-(5-phospho-D-ribosyl) imidazole-4-carboxylate is converted from aminoimidazole ribotide via phosphoribosylaminoimidazole carboxylase [EC: 4.1.1.21].
Synonyms
  1. 1-(5'-Phosphoribosyl)-4-carboxy-5-aminoimidazole
  2. 1-(5'-Phosphoribosyl)-5-amino-4-carboxyimidazole
  3. 1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxylate
  4. 1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate
  5. 4-Carboxy-5-aminoimidazole ribonucleotide
  6. 5'-Phosphoribosyl-4-carboxy-5-aminoimidazole
  7. 5'-Phosphoribosyl-5-amino-4-imidazolecarboxylate
  8. 5'Phosphoribosyl-4-carboxy-5-aminoimidazole
  9. 5-Amino-4-imidazolecarboxylic acid ribonucleotide
  10. 5-Aminoimidazole carboxilic acid ribonucleotice
  11. 5-Aminoimidazole-4-carboxilic acid ribonucleotide
  12. 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid
  13. 5-amino-4-carboxyimidazole ribonucleotide
  14. Carboxyaminoimidazole ribonucleotide
Chemical IUPAC Name 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]imidazole-4-carboxylic acid
Chemical Formula C9H14N3O9P
Chemical Structure Structure
Chemical Taxonomy
Kingdom
  • Organic
Super Class
  • Nucleosides and Nucleoside conjugates
Class
  • Nucleotides
Sub Class
  • Nucleotide monophosphates
Family
  • Mammalian Metabolite
Species
  • secondary alcohol
  • 1,2-diol
  • primary amine
  • primary aromatic amine
  • carboxylic acid
  • phosphoric acid ester
  • aromatic compound
  • heterocyclic compound
Biofunction
—
Application
—
Source
  • Endogenous
Average Molecular Weight 339.196
Monoisotopic Molecular Weight 339.046753
Isomeric SMILES NC1=C(N=CN1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O)C(O)=O
Canonical SMILES NC1=C(N=CN1C1OC(COP(O)(O)=O)C(O)C1O)C(O)=O
KEGG Compound ID C04751 Link Image
BioCyc ID PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE Link Image
BiGG ID 44477 Link Image
Wikipedia Link Not Available
NuGOwiki Link HMDB06273 Link Image
Metagene Link HMDB06273 Link Image
METLIN ID Not Available
PubChem Compound 165388 Link Image
PubChem Substance 10255898 Link Image
ChEBI ID 28413 Link Image
CAS Registry Number Not Available
InChI Identifier InChI=1/C9H14N3O9P/c10-7-4(9(15)16)11-2-12(7)8-6(14)5(13)3(21-8)1-20-22(17,18)19/h2-3,5-6,8,13-14H,1,10H2,(H,15,16)(H2,17,18,19)/t3-,5-,6-,8-/m1/s1
Synthesis Reference Not Available
Melting Point (Experimental) Not Available
Experimental Water Solubility Not Available Source: PhysProp
Predicted Water Solubility 2.81 mg/mL [Predicted by ALOGPS] Calculated using ALOGPS
Physiological Charge -3
State Solid
Experimental LogP/Hydrophobicity Not Available Source: PhysProp
Predicted LogP/Hydrophobicity -2.05 [Predicted by ALOGPS]; -4.7 [Predicted by PubChem via XLOGP] Calculated using ALOGPS
Material Safety Data Sheet (MSDS) Not Available
MOL File Show
SDF File Show
PDB File Show
2D Structure
3D Structure
Experimental PDB ID Not Available
Experimental 1H NMR Spectrum Not Available
Experimental 13C NMR Spectrum Not Available
Experimental 13C HSQC Spectrum Not Available
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
  • Cytoplasm
Biofluid Location Not Available
Tissue Location Not Available
Concentrations (Normal) Not Available
Concentrations (Abnormal) Not Available
Associated Disorders Not Available
OMIM ID Not Available
Pathways
Name SMPDB Link KEGG Link
Purine Metabolism SMP00050 Link Image map00230 Link Image
General References Not Available
Metabolic Enzymes
  1. Multifunctional protein ADE2 [Includes: Phosphoribosylaminoimidazole- succinocarboxamide synthase
Enzyme 1 [top]
Enzyme 1 ID 6176
Enzyme 1 Name Multifunctional protein ADE2 [Includes: Phosphoribosylaminoimidazole- succinocarboxamide synthase
Enzyme 1 Synonyms
  1. SAICAR synthetase
  2. Phosphoribosylaminoimidazole carboxylase
  3. AIR carboxylase
  4. AIRC]
Enzyme 1 Gene Name PAICS
Enzyme 1 Protein Sequence >Multifunctional protein ADE2 [Includes: Phosphoribosylaminoimidazole- succinocarboxamide synthase 
MATAEVLNIGKKLYEGKTKEVYELLDSPGKVLLQSKDQITAGNAARKNHLEGKAAISNKI
TSCIFQLLQEAGIKTAFTRKCGETAFIAPQCEMIPIEWVCRRIATGSFLKRNPGVKEGYK
FYPPKVELFFKDDANNDPQWSEEQLIAAKFCFAGLLIGQTEVDIMSHATQAIFEILEKSW
LPQNCTLVDMKIEFGVDVTTKEIVLADVIDNDSWRLWPSGDRSQQKDKQSYRDLKEVTPE
GLQMVKKNFEWVAERVELLLKSESQCRVVVLMGSTSDLGHCEKIKKACGNFGIPCELRVT
SAHKGPDETLRIKAEYEGDGIPTVFVAVAGRSNGLGPVMSGNTAYPVISCPPLTPDWGVQ
DVWSSLRLPSGLGCSTVLSPEGSAQFAAQIFGLSNHLVWSKLRASILNTWISLKQADKKI
RECNL
Enzyme 1 Number of Residues 425
Enzyme 1 Molecular Weight 47080
Enzyme 1 Theoretical pI 7.26
Enzyme 1 GO Classification
Function
  • acid-amino acid ligase activity
  • carbon-carbon lyase activity
  • carboxy-lyase activity
  • catalytic activity
  • ligase activity
  • ligase activity, forming carbon-nitrogen bonds
  • lyase activity
  • phosphoribosylaminoimidazole carboxylase activity
  • phosphoribosylaminoimidazolesuccinocarboxamide synthase activity
Process
  • 'de novo' IMP biosynthesis
  • IMP biosynthesis
  • cellular metabolism
  • metabolism
  • nucleobase, nucleoside, nucleotide and nucleic acid metabolism
  • nucleotide metabolism
  • physiological process
  • purine nucleoside monophosphate biosynthesis
  • purine nucleotide biosynthesis
  • purine nucleotide metabolism
  • purine ribonucleoside monophosphate biosynthesis
Component
  • phosphoribosylaminoimidazole carboxylase complex
  • protein complex
  • unlocalized protein complex
Enzyme 1 General Function Nucleotide transport and metabolism
Enzyme 1 Specific Function ATP + 5-amino-1-(5-phospho-D- ribosyl)imidazole-4-carboxylate + L-aspartate = ADP + phosphate + (S)-2-(5-amino-1-(5-phospho-D-ribosyl)imidazole-4- carboxamido)succinate
Enzyme 1 Pathways
Enzyme 1 Reactions
  • ATP + 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate + L-aspartate = ADP + phosphate + (S)-2-[5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido]succinate
Enzyme 1 Pfam Domain Function
Enzyme 1 Signals
  • None
Enzyme 1 Transmembrane Regions
  • None
Enzyme 1 Essentiality Not Available
Enzyme 1 GenBank ID Protein 28384 Link Image
Enzyme 1 UniProtKB/Swiss-Prot ID P22234 Link Image
Enzyme 1 UniProtKB/Swiss-Prot Entry Name PUR6_HUMAN Link Image
Enzyme 1 PDB ID Not Available
Enzyme 1 Cellular Location Not Available
Enzyme 1 Gene Sequence >1278 bp 
ATGGCGACAGCTGAGGTACTGAACATTGGTAAAAAATTATATGAGGGTAAAACAAAAGAA
GTCTACGAATTGTTAGACAGTCCAGGAAAAGTCCTCCTGCAGTCCAAGGACCAGATTACA
GCAGGAAATGCAGCTAGAAAAAACCACCTGGAAGGAAAAGCTGCAATCTCAAATAAAATC
ACCAGTTGTATTTTTCAGTTATTACAGGAAGCAGGTATTAAAACTGCCTTCACCAGAAAA
TGTGGGGAGACAGCTTTCATTGCACCGCAGTGTGAAATGATTCCAATTGAATGGGTTTGC
AGAAGAATAGCAACTGGTTCTTTTCTCAAAAGAAATCCTGGTGTCAAGGAAGGATATAAG
TTTTACCCACCTAAAGTGGAGTTGTTTTTCAAGGATGATGCCAATAATGACCCACAGTGG
TCTGAGGAACAGCTGATTGCTGCAAAATTTTGCTTTGCTGGACTTCTTATAGGCCAGACT
GAAGTGGATATCATGAGTCATGCTACACAGGCTATATTTGAAATACTGGAGAAATCCTGG
TTGCCCCAGAATTGTACACTGGTTGATATGAAGATTGAATTTGGTGTTGATGTAACCACC
AAAGAAATTGTTCTTGCTGATGTTATTGACAATGATTCCTGGAGACTCTGGCCATCAGGA
GATCGAAGCCAACAGAAAGACAAACAGTCTTATCGGGACCTCAAAGAAGTAACTCCTGAA
GGGCTCCAAATGGTAAAGAAAAACTTTGAGTGGGTTGCAGAGAGAGTAGAGTTGCTTTTG
AAATCAGAAAGTCAGTGCAGGGTTGTAGTGTTGATGGGCTCTACTTCTGATCTTGGTCAC
TGTGAAAAAATCAAGAAGGCCTGTGGAAATTTTGGCATTCCATGTGAACTTCGAGTAACA
TCTGCGCATAAAGGACCAGATGAAACTCTGAGGATTAAAGCTGAGTATGAAGGGGATGGC
ATTCCTACTGTATTTGTGGCAGTGGCAGGCAGAAGTAATGGTTTGGGACCAGTGATGTCT
GGGAACACTGCATATCCAGTTATCAGCTGTCCTCCCCTCACACCAGACTGGGGAGTTCAG
GATGTGTGGTCTTCTCTTCGACTACCCAGTGGTCTTGGCTGTTCAACCGTACTTTCTCCA
GAAGGATCAGCTCAATTTGCTGCTCAGATATTTGGGTTAAGCAACCATTTGGTATGGAGC
AAACTGCGAGCAAGCATTTTGAACACATGGATTTCCTTGAAGCAGGCTGACAAGAAAATC
AGAGAATGTAATTTATAA
Enzyme 1 GenBank Gene ID X53793 Link Image
Enzyme 1 GeneCard ID PAICS Link Image
Enzyme 1 GenAtlas ID PAICS Link Image
Enzyme 1 HGNC ID HGNC:8587 Link Image
Enzyme 1 Chromosome Location 4
Enzyme 1 Locus 4q12
Enzyme 1 SNPs SNPJam Report Link Image
Enzyme 1 General References
  1. Minet M, Lacroute F: Cloning and sequencing of a human cDNA coding for a multifunctional polypeptide of the purine pathway by complementation of the ade2-101 mutant in Saccharomyces cerevisiae. Curr Genet. 1990 Nov;18(4):287-91. [PubMed Link Image]
Enzyme 1 Metabolite References Not Available