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Human Metabolome Database Version 2.5

 

Showing metabocard for 1D-Myo-inositol 1,3,4,6-tetrakisphosphate (HMDB01187)

Legend: metabolite field enzyme field

Version 2.5
Creation Date 2005-11-16 15:48:42
Update Date 2009-05-05 20:58:35
Accession Number HMDB01187
Secondary Accession Numbers Not Available
Common Name 1D-Myo-inositol 1,3,4,6-tetrakisphosphate
Description 1D-Myo-inositol 1,3,4,6-tetrakisphosphate is a substrate for Tyrosine-protein kinase BTK and Inositol polyphosphate multikinase.
Synonyms
  1. 1D-Myo-inositol 1,3,4,6-tetrakisphosphate
  2. 1D-Myo-inositol 1,3,4,6-tetrakisphosphic acid
  3. D-myo-Inositol-1,3,4,5-tetrakisphosphate octapotassium salt
  4. D-myo-inositol 1,3,4,5-tetrakis-*phosphate potass
  5. D-myo-inositol 1,3,4,6-tetrakisphosphate
  6. Inositol 1,3,4,6-tetrakisphosphate
Chemical IUPAC Name (2,5-dihydroxy-3,4,6-triphosphonooxy-cyclohexoxy)phosphonic 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
  • 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](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@@H](O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O
Canonical SMILES OC1C(OP(O)(O)=O)C(OP(O)(O)=O)C(O)C(OP(O)(O)=O)C1OP(O)(O)=O
KEGG Compound ID C04477 Link Image
BioCyc ID CPD-505 Link Image
BiGG ID 43890 Link Image
Wikipedia Link Not Available
NuGOwiki Link HMDB01187 Link Image
Metagene Link HMDB01187 Link Image
METLIN ID 6066 Link Image
PubChem Compound 477 Link Image
PubChem Substance 5951464 Link Image
ChEBI ID 16155 Link Image
CAS Registry Number 110298-84-5
InChI Identifier InChI=1/C6H16O18P4/c7-1-3(21-25(9,10)11)5(23-27(15,16)17)2(8)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2+,3-,4+,5-,6+
Synthesis Reference Watanabe, Yutaka; Mitani, Motohiro; Morita, Takao; Ozaki, Shoichiro. Highly efficient protection by the tetraisopropyldisiloxane-1,3-diyl group in the synthesis of myo-inositol phosphates as inositol 1,3,4,6-tetrakisphosphate. Journal of the Chemical Soci
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 Not Available Source: PhysProp
Predicted LogP/Hydrophobicity -0.45 [Predicted by ALOGPS]; -8.9 [Predicted by PubChem via XLOGP] 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
  • Cytoplasm (Predicted from LogP)
  • nucleus
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-tetrakisphosphate 1-kinase
Enzyme 1 [top]
Enzyme 1 ID 13063
Enzyme 1 Name Inositol-tetrakisphosphate 1-kinase
Enzyme 1 Synonyms
  1. Inositol 1,3,4-trisphosphate 5/6-kinase
  2. Inositol-triphosphate 5/6-kinase
  3. Ins(1,3,4)P(3) 5/6-kinase
Enzyme 1 Gene Name ITPK1
Enzyme 1 Protein Sequence >Inositol-tetrakisphosphate 1-kinase 
MQTFLKGKRVGYWLSEKKIKKLNFQAFAELCRKRGMEVVQLNLSRPIEEQGPLDVIIHKL
TDVILEADQNDSQSLELVHRFQEYIDAHPETIVLDPLPAIRTLLDRSKSYELIRKIEAYM
EDDRICSPPFMELTSLCGDDTMRLLEKNGLTFPFICKTRVAHGTNSHEMAIVFNQEGLNA
IQPPCVVQNFINHNAVLYKVFVVGESYTVVQRPSLKNFSAGTSDRESIFFNSHNVSKPES
SSVLTELDKIEGVFERPSDEVIRELSRALRQALGVSLFGIDIIINNQTGQHAVIDINAFP
GYEGVSEFFTDLLNHIATVLQGQSTAMAATGDVALLRHSKLLAEPAGGLVGERTCSASPG
CCGSMMGQDAPWKAEADAGGTAKLPHQRLGCNAGVSPSFQQHCVASLATKASSQ
Enzyme 1 Number of Residues 414
Enzyme 1 Molecular Weight 45620.6
Enzyme 1 Theoretical pI 6.09
Enzyme 1 GO Classification
Function
  • ATP binding
  • adenyl nucleotide binding
  • adenyl ribonucleotide binding
  • binding
  • catalytic activity
  • cation binding
  • inositol or phosphatidylinositol kinase activity
  • inositol tetrakisphosphate 1-kinase activity
  • inositol tetrakisphosphate kinase activity
  • inositol trisphosphate kinase activity
  • inositol-1,3,4-trisphosphate 5/6-kinase activity
  • ion binding
  • kinase activity
  • magnesium ion binding
  • metal ion binding
  • nucleoside binding
  • purine nucleoside binding
  • transferase activity
  • transferase activity, transferring phosphorus-containing groups
Process
  • alcohol metabolic process
  • inositol metabolic process
  • inositol phosphate metabolic process
  • inositol trisphosphate metabolic process
  • metabolic process
  • polyol metabolic process
  • small molecule metabolic process
Component
  • cell part
  • intracellular
Enzyme 1 General Function Involved in catalytic activity
Enzyme 1 Specific Function Kinase that can phosphorylate various inositol polyphosphate such as Ins(3,4,5,6)P4 or Ins(1,3,4)P3. Phosphorylates Ins(3,4,5,6)P4 at position 1 to form Ins(1,3,4,5,6)P5. This reaction is thought to have regulatory importance, since Ins(3,4,5,6)P4 is an inhibitor of plasma membrane Ca(2+)-activated Cl(-) channels, while Ins(1,3,4,5,6)P5 is not. Also phosphorylates Ins(1,3,4)P3 on O-5 and O-6 to form Ins(1,3,4,6)P4, an essential molecule in the hexakisphosphate (InsP6) pathway. Also acts as an inositol polyphosphate phosphatase that dephosphorylate Ins(1,3,4,5)P4 and Ins(1,3,4,6)P4 to Ins(1,3,4)P3, and Ins(1,3,4,5,6)P5 to Ins(3,4,5,6)P4. May also act as an isomerase that interconverts the inositol tetraphosphate isomers Ins(1,3,4,5)P4 and Ins(1,3,4,6)P4 in the presence of ADP and magnesium. Probably acts as the rate-limiting enzyme of the InsP6 pathway. Modifies TNF-alpha-induced apoptosis by interfering with the activation of TNFRSF1A-associated death domain
Enzyme 1 Pathways
Enzyme 1 Reactions
  • (1) ATP + 1D-myo-inositol 1,3,4-trisphosphate = ADP + 1D-myo-inositol 1,3,4,5-tetrakisphosphate [RN:R03428]
  • (2) ATP + 1D-myo-inositol 1,3,4-trisphosphate = ADP + 1D-myo-inositol 1,3,4,6-tetrakisphosphate [RN:R03429]
Enzyme 1 Pfam Domain Function
Enzyme 1 Signals
  • None
Enzyme 1 Transmembrane Regions
  • None
Enzyme 1 Essentiality Not Available
Enzyme 1 GenBank ID Protein 12006346 Link Image
Enzyme 1 UniProtKB/Swiss-Prot ID Q13572 Link Image
Enzyme 1 UniProtKB/Swiss-Prot Entry Name ITPK1_HUMAN Link Image
Enzyme 1 PDB ID Not Available
Enzyme 1 Cellular Location Not Available
Enzyme 1 Gene Sequence >1245 bp 
ATGCAGACCTTTCTGAAAGGGAAGAGAGTTGGCTACTGGCTGAGCGAGAAGAAAATCAAG
AAGCTGAATTTCCAGGCCTTCGCCGAGCTGTGCAGGAAGCGAGGGATGGAGGTTGTGCAG
CTGAACCTTAGCCGGCCGATCGAGGAGCAGGGCCCCCTGGACGTCATCATCCACAAGCTG
ACTGACGTCATCCTTGAAGCCGACCAGAATGATAGCCAGTCCCTGGAGCTGGTGCACAGG
TTCCAGGAGTACATCGATGCCCACCCTGAGACCATCGTCCTGGACCCGCTCCCTGCCATC
AGAACCCTGCTTGACCGCTCCAAGTCCTATGAGCTCATCCGGAAGATTGAGGCCTACATG
GAAGACGACAGGATCTGCTCGCCACCCTTCATGGAGCTCACGAGCCTGTGCGGGGATGAC
ACCATGCGGCTGCTGGAGAAGAACGGCTTGACTTTCCCATTCATTTGCAAAACCAGAGTG
GCTCATGGCACCAACTCTCACGAGATGGCTATCGTGTTCAACCAGGAGGGCCTGAACGCC
ATCCAGCCACCCTGCGTGGTCCAGAATTTCATCAACCACAACGCCGTCCTGTACAAGGTG
TTCGTGGTTGGCGAGTCCTACACCGTGGTCCAGAGGCCCTCACTCAAGAACTTCTCCGCA
GGCACATCAGACCGTGAGTCCATCTTCTTCAACAGCCACAACGTGTCAAAGCCGGAGTCG
TCATCGGTCCTGACGGAGCTGGACAAGATCGAGGGCGTGTTCGAGCGGCCGAGCGACGAG
GTCATCCGGGAGCTCTCCCGGGCCCTGCGGCAGGCACTGGGCGTGTCACTCTTTGGCATC
GACATCATCATCAACAACCAGACAGGGCAGCACGCCGTCATTGACATCAATGCCTTCCCA
GGCTACGAGGGCGTGAGCGAGTTCTTCACAGACCTCCTGAACCACATCGCCACTGTCCTG
CAGGGCCAGAGCACAGCCATGGCAGCCACAGGGGACGTGGCCCTGCTGAGGCACAGCAAG
CTTCTGGCCGAGCCGGCGGGCGGCCTGGTGGGCGAGCGGACATGCAGCGCCAGCCCCGGC
TGCTGCGGCAGCATGATGGGCCAGGACGCGCCCTGGAAGGCTGAGGCCGACGCGGGCGGC
ACCGCCAAGCTGCCGCACCAGAGACTCGGCTGCAACGCCGGCGTGTCGCCCAGCTTCCAG
CAGCATTGTGTGGCCTCCCTGGCCACCAAGGCCTCCTCCCAGTAG
Enzyme 1 GenBank Gene ID AF279372 Link Image
Enzyme 1 GeneCard ID ITPK1 Link Image
Enzyme 1 GenAtlas ID ITPK1 Link Image
Enzyme 1 HGNC ID HGNC:6177 Link Image
Enzyme 1 Chromosome Location 1
Enzyme 1 Locus 14q31
Enzyme 1 SNPs SNPJam Report Link Image
Enzyme 1 General References
  1. Wilson MP, Majerus PW: Isolation of inositol 1,3,4-trisphosphate 5/6-kinase, cDNA cloning and expression of the recombinant enzyme. J Biol Chem. 1996 May 17;271(20):11904-10. [PubMed Link Image]
  2. Yang X, Shears SB: Multitasking in signal transduction by a promiscuous human Ins(3,4,5,6)P(4) 1-kinase/Ins(1,3,4)P(3) 5/6-kinase. Biochem J. 2000 Nov 1;351 Pt 3:551-5. [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. Wilson MP, Sun Y, Cao L, Majerus PW: Inositol 1,3,4-trisphosphate 5/6-kinase is a protein kinase that phosphorylates the transcription factors c-Jun and ATF-2. J Biol Chem. 2001 Nov 2;276(44):40998-1004. Epub 2001 Aug 31. [PubMed Link Image]
  5. Ho MW, Yang X, Carew MA, Zhang T, Hua L, Kwon YU, Chung SK, Adelt S, Vogel G, Riley AM, Potter BV, Shears SB: Regulation of Ins(3,4,5,6)P(4) signaling by a reversible kinase/phosphatase. Curr Biol. 2002 Mar 19;12(6):477-82. [PubMed Link Image]
  6. Sun Y, Wilson MP, Majerus PW: Inositol 1,3,4-trisphosphate 5/6-kinase associates with the COP9 signalosome by binding to CSN1. J Biol Chem. 2002 Nov 29;277(48):45759-64. Epub 2002 Sep 24. [PubMed Link Image]
  7. Sun Y, Mochizuki Y, Majerus PW: Inositol 1,3,4-trisphosphate 5/6-kinase inhibits tumor necrosis factor-induced apoptosis. J Biol Chem. 2003 Oct 31;278(44):43645-53. Epub 2003 Aug 18. [PubMed Link Image]
  8. Qian X, Mitchell J, Wei SJ, Williams J, Petrovich RM, Shears SB: The Ins(1,3,4)P3 5/6-kinase/Ins(3,4,5,6)P4 1-kinase is not a protein kinase. Biochem J. 2005 Jul 15;389(Pt 2):389-95. [PubMed Link Image]
  9. Miller GJ, Wilson MP, Majerus PW, Hurley JH: Specificity determinants in inositol polyphosphate synthesis: crystal structure of inositol 1,3,4-trisphosphate 5/6-kinase. Mol Cell. 2005 Apr 15;18(2):201-12. [PubMed Link Image]
  10. Chamberlain PP, Qian X, Stiles AR, Cho J, Jones DH, Lesley SA, Grabau EA, Shears SB, Spraggon G: Integration of inositol phosphate signaling pathways via human ITPK1. J Biol Chem. 2007 Sep 21;282(38):28117-25. Epub 2007 Jul 6. [PubMed Link Image]
Enzyme 1 Metabolite References Not Available