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Details

Stereochemistry ACHIRAL
Molecular Formula C6H6O24P6.9Na.3H
Molecular Weight 857.8718
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHYTATE SODIUM

SMILES

[H+].[H+].[H+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[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=FENRSEGZMITUEF-ATTCVCFYSA-E
InChI=1S/C6H18O24P6.9Na/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;9*+1/p-9/t1-,2-,3-,4+,5-,6-;;;;;;;;;

HIDE SMILES / InChI

Molecular Formula H
Molecular Weight 1.0079
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
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

Description
Curator's Comment: description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/16401188 | https://www.ncbi.nlm.nih.gov/pubmed/28233043 | https://www.ncbi.nlm.nih.gov/pubmed/26859648 | https://www.ncbi.nlm.nih.gov/pubmed/20127021

Phytate Sodium is a complex sodium salt of the corn-derived plant component Phytic Acid , that used as a chelating agent in all types of cosmetic products, including soaps, shampoos, balms and leave-on products for the face or body. Phytate Sodium is a biodegradable product and appears in the form of a dark-coloured liquid, is soluble in water and has a characteristic odour. It can be used in all types of cosmetic products, including soaps, shampoos, balms and leave-on products for the face or body. In vivo and in vitro experiments have demonstrated striking anticancer (preventive as well as therapeutic) effects of phytic acid. Research shows anti-carcinogenic effects, albeit to a lesser extent and it acts in inhibiting cancer. In addition to reduction in cell proliferation, phytic acid increases differentiation of malignant cells often resulting in reversion to the normal phenotype. Phytates participation in important intracellular biochemical pathways, normal physiological presence in human cells, tissues, plasma, urine, etc., the levels of which fluctuate with intake, epidemiological correlates of phytate deficiency with disease and reversal of those conditions by adequate intake, and safety – all strongly suggest for phytates inclusion as an essential nutrient, perhaps a vitamin. Phytic acid, mostly as Phytate Sodium or other phytates, is found within the hulls of nuts, seeds, and grains. No detectable phytate (less than 0.02 % of wet weight) was observed in vegetables such as scallion and cabbage leaves or in fruits such as apples, oranges, bananas, or pears. In-home food preparation techniques can break down the phytic acid in all of these foods. Simply cooking the food will reduce the phytic acid to some degree. More effective methods are soaking in an acid medium, sprouting and lactic acid fermentation such as in sourdough and pickling.

Approval Year

TargetsConditions
Cmax

Cmax

ValueDoseCo-administeredAnalytePopulation
0.12 μg/mL
1400 mg single, oral
dose: 1400 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
FYTIC ACID plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
AUC

AUC

ValueDoseCo-administeredAnalytePopulation
0.52 μg × h/mL
1400 mg single, oral
dose: 1400 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
FYTIC ACID plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
T1/2

T1/2

ValueDoseCo-administeredAnalytePopulation
4 h
1400 mg single, oral
dose: 1400 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
FYTIC ACID plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
Overview

Overview

CYP3A4CYP2C9CYP2D6hERG

OverviewOther

Other InhibitorOther SubstrateOther Inducer

Drug as perpetrator​

Drug as perpetrator​

TargetModalityActivityMetaboliteClinical evidence
likely
Sourcing

Sourcing

Vendor/AggregatorIDURL
PubMed

PubMed

TitleDatePubMed
Development, acceptability and nutritional evaluation of 'Doli Ki Roti'--an indigenously fermented bread.
2001
Soybeans and cancer prevention: a complex food and a complex disease.
2001
Effect of heat processing on in vitro protein digestibility and some chemical properties of African breadfruit (Treculia africana Decne) seeds.
2001
Rice-bran products: phytonutrients with potential applications in preventive and clinical medicine.
2001
Influence of inositolhexaphosphori acid (phytic acid) on the copper distribution in tissues and the excretion of copper in rats.
2001 Apr
In vitro availability of zinc from infant foods with increasing phytic acid contents.
2001 Aug
Pigs expressing salivary phytase produce low-phosphorus manure.
2001 Aug
Study on concretions developed around urinary catheters and mechanisms of renal calculi development.
2001 Aug
GRAB: a physiologic guanine nucleotide exchange factor for Rab3A, which interacts with inositol hexakisphosphate kinase.
2001 Aug 16
Assessment of home-based processing methods to reduce the phytate content and phytate/zinc molar ratio of white maize (Zea mays).
2001 Feb
Problems associated with measuring phytate in infant cereals.
2001 Feb
Nutrient distribution and zinc bioavailability. Estimation in some tropical edible mushrooms.
2001 Feb
Chemical composition and nutritional characteristics of some hull less and hulled barley cultivars grown in India.
2001 Feb
Nutritional composition of uncommon foods and their role in meeting micronutrient needs.
2001 Jul
Effect of several germination conditions on total P, phytate P, phytase, and acid phosphatase activities and inositol phosphate esters in rye and barley.
2001 Jul
G0/G1 arrest and S phase inhibition of human cancer cell lines by inositol hexaphosphate (IP6).
2001 Jul-Aug
Accessory spleen in the pelvis diagnosed by Tc-99m phytate scintigraphy.
2001 Jun
Beta 93 modified hemoglobin: kinetic and conformational consequences.
2001 Jun 26
The use of near-infrared reflectance spectroscopy to predict the moisture, nitrogen, calcium, total phosphorus, gross energy, and phytate phosphorus contents of broiler excreta.
2001 Mar
Inositol phosphates from barley low-phytate grain mutants analysed by metal-dye detection HPLC and NMR.
2001 Mar 1
Direct observation of two distinct affinity conformations in the T state human deoxyhemoglobin.
2001 Mar 9
Purification and properties of extracellular phytase from Bacillus sp. KHU-10.
2001 May
Reduction by phytate-reduced soybean beta-conglycinin of plasma triglyceride level of young and adult rats.
2001 May
A physiological manoeuvre to improve the positivity of the gastro-oesophageal reflux scintigraphic test.
2001 May
Purification and characterization of a phytate-degrading enzyme from germinated faba beans (Vicia faba Var. Alameda).
2001 May
Transgenic mice expressing bacterial phytase as a model for phosphorus pollution control.
2001 May
Oxidation of polyphenols in phytate-reduced high-tannin cereals: effect on different phenolic groups and on in vitro accessible iron.
2001 Nov
Use of fungal phytase to improve breadmaking performance of whole wheat bread.
2001 Nov
Stereospecificity of myo-inositol hexakisphosphate dephosphorylation by a phytate-degrading enzyme of Escherichia coli.
2001 Nov 17
High affinity association of myo-inositol trisphosphates with phytase and its effect upon the catalytic potential of the enzyme.
2001 Nov 23
Effects of wheat maturation stage and cooking method on dietary fiber and phytic acid contents of firik, a wheat-based local food.
2001 Oct
Organic phosphates as a new class of soluble guanylate cyclase inhibitors.
2001 Oct 19
Probing the importance of the amino-terminal sequence of the beta- and gamma-chains to the properties of normal adult and fetal hemoglobins.
2001 Oct 9
Enzyme mechanism and catalytic property of beta propeller phytase.
2001 Sep
Calcium-binding capacities of different brans under simulated gastrointestinal pH conditions. In vitro study with (45)Ca.
2001 Sep
Effects of phytic acid and xanthotoxin on growth and detoxification in caterpillars.
2001 Sep
[In vitro availability of minerals in infant foods with different protein source].
2001 Sep-Oct
Preparation of phytate-removed deamidated soybean globulins by ion exchangers and characterization of their calcium-binding ability.
2002 Jan 2
Phytic Acid: From Antinutritional to Multiple Protection Factor of Organic Systems.
2016 Jun
Patents

Sample Use Guides

2,000 - 3,000 mg per day (in two doses)
Route of Administration: Oral
In MC65 cells, 48-72-hour treatment with phytic acid (100 uM) provided complete protection against amyloid precursor protein-C-terminal fragment-induced cytotoxicity by attenuating levels of increased intracellular calcium, hydrogen peroxide, superoxide, Aβ oligomers, and moderately upregulated the expression of autophagy (beclin-1) protein.
Substance Class Chemical
Created
by admin
on Fri Dec 16 15:45:45 UTC 2022
Edited
by admin
on Fri Dec 16 15:45:45 UTC 2022
Record UNII
88496G1ERL
Record Status Validated (UNII)
Record Version
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Name Type Language
PHYTATE SODIUM
USAN  
USAN  
Official Name English
Sodium phytate [WHO-DD]
Common Name English
SODIUM FYTATE (9:1)
Common Name English
SQ 9343
Code English
PHYTIC ACID SODIUM SALT [MI]
Common Name English
SODIUM PHYTATE [INCI]
Common Name English
SODIUM PHYTATE
INCI   WHO-DD  
INCI  
Official Name English
MYO-INOSITOL, HEXAKIS(DIHYDROGEN PHOSPHATE), NONASODIUM SALT
Common Name English
SQ-9343
Code English
FYTATE SODIUM
Common Name English
PHYTATE SODIUM [USAN]
Common Name English
RENCAL
Brand Name English
PHYTIC ACID SODIUM SALT
MI  
Common Name English
SODIUM FYTATE [MART.]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C360
Created by admin on Fri Dec 16 15:45:45 UTC 2022 , Edited by admin on Fri Dec 16 15:45:45 UTC 2022
Code System Code Type Description
EPA CompTox
DTXSID60992770
Created by admin on Fri Dec 16 15:45:45 UTC 2022 , Edited by admin on Fri Dec 16 15:45:45 UTC 2022
PRIMARY
EVMPD
SUB15319MIG
Created by admin on Fri Dec 16 15:45:45 UTC 2022 , Edited by admin on Fri Dec 16 15:45:45 UTC 2022
PRIMARY
RXCUI
9903
Created by admin on Fri Dec 16 15:45:45 UTC 2022 , Edited by admin on Fri Dec 16 15:45:45 UTC 2022
PRIMARY RxNorm
NCI_THESAURUS
C87690
Created by admin on Fri Dec 16 15:45:45 UTC 2022 , Edited by admin on Fri Dec 16 15:45:45 UTC 2022
PRIMARY
FDA UNII
88496G1ERL
Created by admin on Fri Dec 16 15:45:45 UTC 2022 , Edited by admin on Fri Dec 16 15:45:45 UTC 2022
PRIMARY
MERCK INDEX
M8769
Created by admin on Fri Dec 16 15:45:45 UTC 2022 , Edited by admin on Fri Dec 16 15:45:45 UTC 2022
PRIMARY Merck Index
CAS
7205-52-9
Created by admin on Fri Dec 16 15:45:45 UTC 2022 , Edited by admin on Fri Dec 16 15:45:45 UTC 2022
PRIMARY
DAILYMED
88496G1ERL
Created by admin on Fri Dec 16 15:45:45 UTC 2022 , Edited by admin on Fri Dec 16 15:45:45 UTC 2022
PRIMARY
ChEMBL
CHEMBL2005481
Created by admin on Fri Dec 16 15:45:45 UTC 2022 , Edited by admin on Fri Dec 16 15:45:45 UTC 2022
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE