IHP

INOSITOL HEXAKISPHOSPHATE

Created:	1999-07-08
Last modified:	2020-09-23

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254 entries where IHP is found as a standalone ligand8 entries where IHP is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	54
Chiral Atom Count	0
Bond Count	54
Aromatic Bond Count	0

2D diagram of IHP

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Chemical Component Summary
Name	INOSITOL HEXAKISPHOSPHATE
Synonyms	MYO-INOSITOL HEXAKISPHOSPHATE; INOSITOL 1,2,3,4,5,6-HEXAKISPHOSPHATE
Systematic Name (OpenEye OEToolkits)	(2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate
Formula	C₆ H₁₈ O₂₄ P₆
Molecular Weight	660.035
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O
SMILES	CACTVS	3.385	O[P](O)(=O)O[CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O
SMILES	OpenEye OEToolkits	2.0.7	C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O
Canonical SMILES	CACTVS	3.385	O[P](O)(=O)O[C@@H]1[C@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@H]1O[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O
InChI	InChI	1.03	InChI=1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4+,5-,6-
InChIKey	InChI	1.03	IMQLKJBTEOYOSI-GPIVLXJGSA-N

Drug Info: DrugBank

DrugBank ID	DB14981
Name	Phytic acid
Groups	investigational
Description	Phytic acid is under investigation in clinical trial NCT01000233 (Value of Oral Phytate (InsP6) in the Prevention of Progression of the Cardiovascular Calcifications).
Synonyms	myo-inositol 1,2,3,4,5,6-hexakisphosphate Phytine Inositol hexaphosphate Phytic acid Acidum fyticum myo-Inositol hexakisphosphate Inosithexaphosphorsäure Säure des phytins 1D-myo-Inositol hexakisphosphate Phytate 1D-myo-Inositol 1,2,3,4,5,6-hexakisphosphate Acido fitico Fytic acid D-myo-Inositol 1,2,3,4,5,6-hexakisphosphate Acide fytique
Categories	Alcohols Carbohydrates Inositol Phosphates Sugar Alcohols Sugar Phosphates
CAS number	83-86-3

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.