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Human Metabolome Database Version 2.5

 

Showing metabocard for 1D-Myo-inositol 1,4,5,6-tetrakisphosphate (HMDB04527)

Legend: metabolite field enzyme field

Version 2.5
Creation Date 2006-08-13 21:34:43
Update Date 2009-05-05 20:59:59
Accession Number HMDB04527
Secondary Accession Numbers Not Available
Common Name 1D-Myo-inositol 1,4,5,6-tetrakisphosphate
Description 1D-Myo-inositol 1,4,5,6-tetrakisphosphate has been shown to regulate Cl- transport, to be a phosphoinositide 3-kinase antagonist, and to bind tightly to some pleckstrin homology domains, and finally, it may contribute to transcriptional regulation. Inositol phosphates comprise a large family of intracellular signals which play many important roles in cell biology. These biological actions can be quite specific to one particular inositol phosphate. 1D-myo-Inositol 1,4,5,6-tetrakisphosphate (Ins(1,4,5,6)P4) is phosphorylated by inositolphosphate-multikinase (IPMK; this enzyme has the capacity to regulate the cellular levels of Ins(1,4,5,6)P4 in mammalian cells. (PMID: 16376887, 10720331, 8809047, 9405634)
Synonyms
  1. D-myo-Inositol 1,4,5,6-tetrakisphosphate
  2. Inositol 1,4,5,6-tetrakisphosphate
  3. 1D-myo-Inositol 1,4,5,6-tetrakisphosphic acid
Chemical IUPAC Name [(1R,2S,3S,4R,5S,6R)-3,4-dihydroxy-2,5,6-triphosphonooxy-cyclohexyl]oxyphosphonic acid
Chemical Formula C6H16O18P4
Chemical Structure Structure
Chemical Taxonomy
Kingdom
  • Organic
Super Class
  • Alcohols
Class
  • Alcohol Phosphates
Sub Class
  • Inositol phosphates
Family
  • Mammalian Metabolite
Species
  • secondary alcohol
  • 1,2-diol
  • phosphoric acid ester
Biofunction
—
Application
—
Source
  • Endogenous
Average Molecular Weight 500.076
Monoisotopic Molecular Weight 499.928711
Isomeric SMILES O[C@H]1[C@@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O
Canonical SMILES OC1C(O)C(OP(O)(O)=O)C(OP(O)(O)=O)C(OP(O)(O)=O)C1OP(O)(O)=O
KEGG Compound ID C11555 Link Image
BioCyc ID Not Available
BiGG ID 2264980 Link Image
Wikipedia Link Not Available
NuGOwiki Link HMDB04527 Link Image
Metagene Link HMDB04527 Link Image
METLIN ID Not Available
PubChem Compound 443266 Link Image
PubChem Substance 11533085 Link Image
ChEBI ID 16067 Link Image
CAS Registry Number 121010-58-0
InChI Identifier InChI=1/C6H16O18P4/c7-1-2(8)4(22-26(12,13)14)6(24-28(18,19)20)5(23-27(15,16)17)3(1)21-25(9,10)11/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2+,3-,4-,5+,6+/m1/s1
Synthesis Reference Not Available
Melting Point (Experimental) Not Available
Experimental Water Solubility Not Available Source: PhysProp
Predicted Water Solubility 11.5 mg/mL [Predicted by ALOGPS] Calculated using ALOGPS
Physiological Charge -8
State Solid
Experimental LogP/Hydrophobicity -7.268 Source: PhysProp
Predicted LogP/Hydrophobicity -0.45 [Predicted by ALOGPS] Calculated using ALOGPS
Material Safety Data Sheet (MSDS) Not Available
MOL File Show Link Image
SDF File Show Link Image
PDB File Show Link Image
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
Show Peaklist
Predicted 13C NMR Spectrum Show Image
Show Peaklist
Mass Spectrum Not Available
Simplified TOCSY Spectrum Not Available
BMRB Spectrum Not Available
Cellular Location Not Available
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
Inositol Metabolism SMP00011 Link Image map00562 Link Image
Inositol Phosphate Metabolism SMP00462 Link Image map00562 Link Image
General References Not Available
Metabolic Enzymes
  1. Inositol polyphosphate multikinase
Enzyme 1 [top]
Enzyme 1 ID 6582
Enzyme 1 Name Inositol polyphosphate multikinase
Enzyme 1 Synonyms
  1. Inositol 1,3,4,6-tetrakisphosphate 5-kinase
Enzyme 1 Gene Name IPMK
Enzyme 1 Protein Sequence >Inositol polyphosphate multikinase 
MATEPPSPLRVEAPGPPEMRTSPAIESTPEGTPQPAGGRLRFLNGCVPLSHQVAGHMYGK
DKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPP
TAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLG
MRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWF
ENQKQLNFYASSLLFVYEGSSQPTTTKLNDRTLAEKFLSKGQLSDTEVLEYNNNFHVLSS
TANGKIESSVGKSLSKMYARHRKIYTKKHHSQTSLKVENLEQDNGWKSMSQEHLNGNVLS
QLEKVFYHLPTGCQEIAEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN
Enzyme 1 Number of Residues 416
Enzyme 1 Molecular Weight 47221.5
Enzyme 1 Theoretical pI 7.71
Enzyme 1 GO Classification
Function
  • catalytic activity
  • inositol or phosphatidylinositol kinase activity
  • inositol trisphosphate 3-kinase activity
  • inositol trisphosphate kinase activity
  • kinase activity
  • transferase activity
  • transferase activity, transferring phosphorus-containing groups
Process
—
Component
—
Enzyme 1 General Function Involved in inositol trisphosphate 3-kinase activity
Enzyme 1 Specific Function Inositol phosphate kinase with a broad substrate specificity. Has a preference for inositol-1,4,5-trisphosphate (Ins(1,4,5)P3) and inositol 1,3,4,6-tetrakisphosphate (Ins(1,3,4,6)P4)
Enzyme 1 Pathways
Enzyme 1 Reactions
  • (1) (1a) ATP + 1D-myo-inositol 1,4,5-trisphosphate = ADP + 1D-myo-inositol 1,4,5,6-tetrakisphosphate [RN:R05800]
  • (2) (1b) ATP + 1D-myo-inositol 1,4,5,6-tetrakisphosphate = ADP + 1D-myo-inositol 1,3,4,5,6-pentakisphosphate [RN:R05801]
Enzyme 1 Pfam Domain Function
Enzyme 1 Signals
  • None
Enzyme 1 Transmembrane Regions
  • None
Enzyme 1 Essentiality Not Available
Enzyme 1 GenBank ID Protein 22532105 Link Image
Enzyme 1 UniProtKB/Swiss-Prot ID Q8NFU5 Link Image
Enzyme 1 UniProtKB/Swiss-Prot Entry Name IPMK_HUMAN Link Image
Enzyme 1 PDB ID Not Available
Enzyme 1 Cellular Location Not Available
Enzyme 1 Gene Sequence >1251 bp 
ATGGCAACAGAGCCACCATCCCCCCTCCGGGTCGAGGCGCCGGGCCCCCCAGAAATGCGG
ACCTCACCGGCGATCGAGTCCACCCCTGAGGGCACCCCGCAGCCGGCGGGCGGCAGACTC
CGCTTCCTCAACGGCTGCGTGCCCCTCTCGCATCAGGTGGCCGGGCACATGTACGGGAAG
GACAAAGTGGGTATACTGCAACATCCAGATGGCACAGTTTTGAAACAGTTACAACCACCT
CCAAGGGGCCCAAGAGAGCTGGAATTCTATAATATGGTTTATGCTGCTGACTGTTTTGAT
GGTGTTCTTCTAGAGCTACGAAAATATTTGCCAAAATATTATGGCATCTGGTCACCTCCC
ACTGCACCAAACGATTTATACCTAAAACTGGAAGATGTGACCCATAAATTTAATAAGCCC
TGTATAATGGATGTAAAGATAGGGCAAAAAAGCTATGATCCTTTTGCCTCATCTGAGAAG
ATTCAGCAACAGGTCAGCAAGTACCCATTAATGGAAGAGATTGGGTTCTTGGTGCTTGGC
ATGAGGGTTTATCATGTTCATTCCGATAGCTATGAGACAGAAAACCAGCATTACGGAAGA
AGCTTAACAAAAGAAACTATAAAGGATGGAGTCTCCAGATTTTTTCATAATGGGTACTGC
TTAAGAAAAGATGCTGTTGCTGCCAGTATTCAGAAGATTGAGAAAATTCTGCAGTGGTTT
GAAAACCAGAAGCAGCTTAATTTTTACGCAAGTTCATTACTCTTTGTTTATGAAGGTTCA
TCTCAGCCAACCACTACAAAATTGAATGACAGAACTTTGGCAGAAAAGTTTTTGTCCAAA
GGACAACTGTCAGACACAGAAGTACTAGAGTACAATAATAACTTTCATGTGTTAAGTTCC
ACAGCTAATGGAAAAATAGAGTCTTCAGTGGGCAAAAGCTTGTCCAAGATGTATGCGCGT
CACAGGAAAATATATACAAAAAAGCATCACAGTCAGACTTCATTGAAAGTTGAAAATCTG
GAGCAAGACAATGGGTGGAAAAGCATGTCACAGGAACATTTAAATGGAAATGTACTTTCC
CAACTGGAAAAAGTTTTCTACCATCTTCCCACTGGTTGCCAAGAGATTGCTGAAGTAGAA
GTGCGAATGATAGATTTTGCTCATGTGTTCCCTAGCAACACAATAGATGAGGGATATGTT
TATGGGCTAAAGCATTTAATTTCTGTACTTCGAAGTATTTTAGACAATTGA
Enzyme 1 GenBank Gene ID AF432853 Link Image
Enzyme 1 GeneCard ID IPMK Link Image
Enzyme 1 GenAtlas ID IPMK Link Image
Enzyme 1 HGNC ID HGNC:20739 Link Image
Enzyme 1 Chromosome Location 1
Enzyme 1 Locus 10q21.1
Enzyme 1 SNPs SNPJam Report Link Image
Enzyme 1 General References
  1. Nalaskowski MM, Deschermeier C, Fanick W, Mayr GW: The human homologue of yeast ArgRIII protein is an inositol phosphate multikinase with predominantly nuclear localization. Biochem J. 2002 Sep 1;366(Pt 2):549-56. [PubMed Link Image]
  2. Chang SC, Miller AL, Feng Y, Wente SR, Majerus PW: The human homolog of the rat inositol phosphate multikinase is an inositol 1,3,4,6-tetrakisphosphate 5-kinase. J Biol Chem. 2002 Nov 15;277(46):43836-43. Epub 2002 Sep 9. [PubMed Link Image]
  3. Gerhard DS, Wagner L, Feingold EA, Shenmen CM, Grouse LH, Schuler G, Klein SL, Old S, Rasooly R, Good P, Guyer M, Peck AM, Derge JG, Lipman D, Collins FS, Jang W, Sherry S, Feolo M, Misquitta L, Lee E, Rotmistrovsky K, Greenhut SF, Schaefer CF, Buetow K, Bonner TI, Haussler D, Kent J, Kiekhaus M, Furey T, Brent M, Prange C, Schreiber K, Shapiro N, Bhat NK, Hopkins RF, Hsie F, Driscoll T, Soares MB, Casavant TL, Scheetz TE, Brown-stein MJ, Usdin TB, Toshiyuki S, Carninci P, Piao Y, Dudekula DB, Ko MS, Kawakami K, Suzuki Y, Sugano S, Gruber CE, Smith MR, Simmons B, Moore T, Waterman R, Johnson SL, Ruan Y, Wei CL, Mathavan S, Gunaratne PH, Wu J, Garcia AM, Hulyk SW, Fuh E, Yuan Y, Sneed A, Kowis C, Hodgson A, Muzny DM, McPherson J, Gibbs RA, Fahey J, Helton E, Ketteman M, Madan A, Rodrigues S, Sanchez A, Whiting M, Madari A, Young AC, Wetherby KD, Granite SJ, Kwong PN, Brinkley CP, Pearson RL, Bouffard GG, Blakesly RW, Green ED, Dickson MC, Rodriguez AC, Grimwood J, Schmutz J, Myers RM, Butterfield YS, Griffith M, Griffith OL, Krzywinski MI, Liao N, Morin R, Palmquist D, Petrescu AS, Skalska U, Smailus DE, Stott JM, Schnerch A, Schein JE, Jones SJ, Holt RA, Baross A, Marra MA, Clifton S, Makowski KA, Bosak S, Malek J: The status, quality, and expansion of the NIH full-length cDNA project: the Mammalian Gene Collection (MGC). Genome Res. 2004 Oct;14(10B):2121-7. [PubMed Link Image]
  4. Daub H, Olsen JV, Bairlein M, Gnad F, Oppermann FS, Korner R, Greff Z, Keri G, Stemmann O, Mann M: Kinase-selective enrichment enables quantitative phosphoproteomics of the kinome across the cell cycle. Mol Cell. 2008 Aug 8;31(3):438-48. [PubMed Link Image]
  5. Oppermann FS, Gnad F, Olsen JV, Hornberger R, Greff Z, Keri G, Mann M, Daub H: Large-scale proteomics analysis of the human kinome. Mol Cell Proteomics. 2009 Jul;8(7):1751-64. Epub 2009 Apr 15. [PubMed Link Image]
Enzyme 1 Metabolite References Not Available