RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0156984
RefMet name	Inositol 3,4,5,6-tetrakisphosphate
Alternative name	D-myo-Inositol 3,4,5,6-tetrakisphosphate
Systematic name	{[(1R,2S,3R,4S,5S,6R)-3,4-dihydroxy-2,5,6-tris(phosphonooxy)cyclohexyl]oxy}phosphonic acid
Synonyms	PubChem Synonyms
Exact mass	499.928722 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C6H16O18P4	View other entries in RefMet with this formula
Molecular descriptors
Molfile	38403 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/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+/m0/s1
InChIKey	MRVYFOANPDTYBY-UZAAGFTCSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	[C@@H]1([C@H]([C@@H]([C@H]([C@@H]([C@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organic oxygen compounds
Main Class	Alcohols and polyols
Sub Class	Inositols
Distribution of Inositol 3,4,5,6-tetrakisphosphate in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Inositol 3,4,5,6-tetrakisphosphate
External Links
Pubchem CID	121920
ChEBI ID	15844
KEGG ID	C04520
HMDB ID	HMDB0003848
Chemspider ID	108765
MetaCyc ID	CPD-178
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Inositol 3,4,5,6-tetrakisphosphate

Rxn ID	KEGG Reaction	Enzyme
R03479	ATP + 1D-myo-Inositol 3,4,5,6-tetrakisphosphate <=> ADP + 1D-myo-Inositol 1,3,4,5,6-pentakisphosphate	ATP:1D-myo-inositol-3,4,5,6-tetrakisphosphate 1-phosphotransferase

Table of KEGG human pathways containing Inositol 3,4,5,6-tetrakisphosphate

Pathway ID	Human Pathway	# of reactions
hsa00562	Inositol phosphate metabolism	1