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Details

Stereochemistry ACHIRAL
Molecular Formula C6H6O24P6.5Ca.Mg
Molecular Weight 872.635
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHYTIN

SMILES

[Mg++].[Ca++].[Ca++].[Ca++].[Ca++].[Ca++].[O-]P([O-])(=O)O[C@H]1[C@H](OP([O-])([O-])=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

InChI

InChIKey=HYZKUQIQEQQXOQ-BQYPOXACSA-B
InChI=1S/C6H18O24P6.5Ca.Mg/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);;;;;;/q;6*+2/p-12/t1-,2-,3-,4+,5-,6-;;;;;;

HIDE SMILES / InChI

Molecular Formula Ca
Molecular Weight 40.078
Charge 2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Mg
Molecular Weight 24.305
Charge 2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C6H6O24P6
Molecular Weight 647.94
Charge -12
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Iron absorption from experimental infant formulas based on pea (Pisum sativum)-protein isolate: the effect of phytic acid and ascorbic acid.
2001 Jan
Assessing the omnipotence of inositol hexakisphosphate.
2001 Mar
Reaction of oxygen with 6-hydroxydopamine catalyzed by Cu, Fe, Mn, and V complexes: identification of a thermodynamic window for effective metal catalysis.
2001 May 1
Bioavailability of cadmium from infant diets in newborn rats.
2001 Nov
Can dietary treatment of non-anemic iron deficiency improve iron status?
2001 Oct
Modeling of parameters affecting phytate phosphorus bioavailability in growing birds.
2004 Jul
Isolation, characterization, and molecular cloning of the cDNA encoding a novel phytase from Aspergillus niger 113 and high expression in Pichia pastoris.
2004 May 31
Phytic acid-induced metabolic changes in the rat.
2005 Dec
Phosphorus source alters host plant response to ectomycorrhizal diversity.
2005 Nov
A revised model for studying phosphorus and calcium kinetics in growing sheep.
2006 Oct
Impact of sourdough on the texture of bread.
2007 Apr
Inositol pyrophosphates get the vip1 treatment.
2007 May 18
[Calcium kidney stones. Diagnostic and preventive prospects].
2007 Nov-Dec
Structure-function analysis of inositol hexakisphosphate-induced autoprocessing of the Vibrio cholerae multifunctional autoprocessing RTX toxin.
2008 Aug 29
Treatment of zinc deficiency without zinc fortification.
2008 Mar
Iron absorption from brown rice/brown rice-based meal and milled rice/milled rice-based meal.
2009 Dec
p21/Cip1 and p27/Kip1 Are essential molecular targets of inositol hexaphosphate for its antitumor efficacy against prostate cancer.
2009 Feb 1
Differential effects of a transgene to confer low phytic acid in caryopses located at different positions in rice panicles.
2009 Jul
A paramutation phenomenon is involved in the genetics of maize low phytic acid1-241 (lpa1-241) trait.
2009 Mar
Brassica orthologs from BANYULS belong to a small multigene family, which is involved in procyanidin accumulation in the seed.
2009 Nov
Phytochemical profiles and health-promoting effects of cool-season food legumes as influenced by thermal processing.
2009 Nov 25
Can coca leaves contribute to improving the nutritional status of the Andean population?
2009 Sep
Yogurt protects against growth retardation in weanling rats fed diets high in phytic acid.
2010 Feb
Inositol hexaphosphate downregulates both constitutive and ligand-induced mitogenic and cell survival signaling, and causes caspase-mediated apoptotic death of human prostate carcinoma PC-3 cells.
2010 Jan
Effect of dietary phytate and phytase on metabolic change of blood and intestinal mucosa in chickens.
2010 Jun
Epigenetics, an early event in the modulation of gene expression by inositol hexaphosphate in ethylnitrosourea exposed mouse lungs.
2011
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:08:48 UTC 2023
Edited
by admin
on Fri Dec 15 15:08:48 UTC 2023
Record UNII
N1DEP08LNK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PHYTIN
INCI   VANDF  
INCI  
Official Name English
INOSITOL HEXAPHOSPHORIC ACID, CALCIUM-MAGNESIUM SALT
Common Name English
PHYTIC ACID CALCIUM MAGNESIUM SALT
MI  
Common Name English
CALCIUM MAGNESIUM FYTATE [MART.]
Common Name English
PHYTIN [VANDF]
Common Name English
Fytate calcium magnesium [WHO-DD]
Common Name English
MYO-INOSITOL, HEXAKIS(DIHYDROGEN PHOSPHATE), CALCIUM MAGNESIUM SALT
Common Name English
MYO-INOSITOL, HEXAKIS(DIHYDROGEN PHOSPHATE), CALCIUM MAGNESIUM SALT (1:5:1)
Systematic Name English
CALCIUM-MAGNESIUM PHYTATE
Common Name English
MAGNESIUM PENTACALCIUM PHYTATE
Common Name English
FYTATE CALCIUM MAGNESIUM
WHO-DD  
Common Name English
PHYTIN [INCI]
Common Name English
PHYTIC ACID CALCIUM MAGNESIUM SALT [MI]
Common Name English
CALCIUM MAGNESIUM FYTATE
MART.  
Common Name English
Code System Code Type Description
CAS
3615-82-5
Created by admin on Fri Dec 15 15:08:48 UTC 2023 , Edited by admin on Fri Dec 15 15:08:48 UTC 2023
NON-SPECIFIC STOICHIOMETRY
EVMPD
SUB02293MIG
Created by admin on Fri Dec 15 15:08:48 UTC 2023 , Edited by admin on Fri Dec 15 15:08:48 UTC 2023
PRIMARY
ECHA (EC/EINECS)
222-798-1
Created by admin on Fri Dec 15 15:08:48 UTC 2023 , Edited by admin on Fri Dec 15 15:08:48 UTC 2023
PRIMARY
WIKIPEDIA
Phytin
Created by admin on Fri Dec 15 15:08:48 UTC 2023 , Edited by admin on Fri Dec 15 15:08:48 UTC 2023
PRIMARY
PUBCHEM
76963969
Created by admin on Fri Dec 15 15:08:48 UTC 2023 , Edited by admin on Fri Dec 15 15:08:48 UTC 2023
PRIMARY
FDA UNII
N1DEP08LNK
Created by admin on Fri Dec 15 15:08:48 UTC 2023 , Edited by admin on Fri Dec 15 15:08:48 UTC 2023
PRIMARY
MERCK INDEX
m8769
Created by admin on Fri Dec 15 15:08:48 UTC 2023 , Edited by admin on Fri Dec 15 15:08:48 UTC 2023
PRIMARY Merck Index
CAS
76466-13-2
Created by admin on Fri Dec 15 15:08:48 UTC 2023 , Edited by admin on Fri Dec 15 15:08:48 UTC 2023
PRIMARY
EPA CompTox
DTXSID30891206
Created by admin on Fri Dec 15 15:08:48 UTC 2023 , Edited by admin on Fri Dec 15 15:08:48 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE