U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C6H12O24P6.6Na
Molecular Weight 791.9263
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEXASODIUM PHYTATE

SMILES

[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].OP([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=DHZIAGCFFSRULK-BQYPOXACSA-H
InChI=1S/C6H18O24P6.6Na/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*+1/p-6/t1-,2-,3-,4+,5-,6-;;;;;;

HIDE SMILES / InChI

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 C6H12O24P6
Molecular Weight 653.9877
Charge -6
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
Absorption and excretion of orally administered inositol hexaphosphate (IP(6) or phytate) in humans.
2001
Sentinel lymph node biopsy in breast cancer: an overview of the Japanese experience.
2001
Pilot study of a specific dietary supplement in tumor-bearing mice and in stage IIIB and IV non-small cell lung cancer patients.
2001
Soybeans and cancer prevention: a complex food and a complex disease.
2001
Effect of soaking, germination, autoclaving and cooking on chemical and biological value of guar compared with faba bean.
2001 Aug
In vitro availability of zinc from infant foods with increasing phytic acid contents.
2001 Aug
Phytate levels in diverse rat tissues: influence of dietary phytate.
2001 Aug
A novel phytase with sequence similarity to purple acid phosphatases is expressed in cotyledons of germinating soybean seedlings.
2001 Aug
Inositol hexakisphosphate increases L-type Ca2+ channel activity by stimulation of adenylyl cyclase.
2001 Aug
Calcium-dependent catalytic activity of a novel phytase from Bacillus amyloliquefaciens DS11.
2001 Aug 14
GRAB: a physiologic guanine nucleotide exchange factor for Rab3A, which interacts with inositol hexakisphosphate kinase.
2001 Aug 16
Effect of myo-inositol(1,4,5)trisphosphate on the hydrolysis of phytic acid by phytase.
2001 Feb-Apr
[Phytin efficacy in correction of the impaired detoxication liver function in the long-term compression syndrome in rats in prepubertal period].
2001 Jan-Feb
Inositol hexaphosphate inhibits ultraviolet B-induced signal transduction.
2001 Jul
G0/G1 arrest and S phase inhibition of human cancer cell lines by inositol hexaphosphate (IP6).
2001 Jul-Aug
[New strains of soil bacilli which mineralize organic phosphorus compounds].
2001 Jul-Aug
Proposed phytic acid standard including a method for its analysis.
2001 Jul-Aug
Accessory spleen in the pelvis diagnosed by Tc-99m phytate scintigraphy.
2001 Jun
Development and sensory evaluation of soy milk based yoghurt.
2001 Mar
Purification and properties of extracellular phytase from Bacillus sp. KHU-10.
2001 May
Dietary diversification/modification strategies to enhance micronutrient content and bioavailability of diets in developing countries.
2001 May
Utilisation of phytate phosphorus by rumen bacteria in a semi-continuous culture system (Rusitec) in lactating goats fed on different forage to concentrate ratios.
2001 May-Jun
Biotechnological development of effective phytases for mineral nutrition and environmental protection.
2001 Nov
Bioavailability of cadmium from infant diets in newborn rats.
2001 Nov
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
The use of 99mTc-phytate for sentinel node mapping in melanoma, breast cancer and vulvar cancer: a study of 100 cases.
2001 Nov
High and low oxygen affinity conformations of T state hemoglobin.
2001 Nov
The role of hepatobiliary scintigraphy in the follow-up of benign liver tumors secondary to oral contraceptive use.
2001 Nov
Micronutrient composition and nutritional importance of gathered vegetables in Vietnam.
2001 Nov
Protective effect of phytic acid on oxidative DNA damage with reference to cancer chemoprevention.
2001 Nov 2
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
Can dietary treatment of non-anemic iron deficiency improve iron status?
2001 Oct
Complementary feeding practices and dietary intakes from complementary foods amongst weanlings in rural Malawi.
2001 Oct
Ingestion of insoluble dietary fibre increased zinc and iron absorption and restored growth rate and zinc absorption suppressed by dietary phytate in rats.
2001 Oct
Seeds for a better future: 'low phytate' grains help to overcome malnutrition and reduce pollution.
2001 Oct
Molecular dynamics analysis of a second phosphate site in the hemoglobins of the seabird, south polar skua. Is there a site-site migratory mechanism along the central cavity?
2001 Oct
Organic phosphates as a new class of soluble guanylate cyclase inhibitors.
2001 Oct 19
Identification and characterization of a novel inositol hexakisphosphate kinase.
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
The response of broilers to the feeding of mash or pelleted diets containing maize of varying particle sizes.
2001 Sep
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
Processing of newly released ricebean and fababean cultivars: changes in total and available calcium, iron and phosphorus.
2001 Sep
[In vitro availability of minerals in infant foods with different protein source].
2001 Sep-Oct
Enzymatic characterization of organic phosphorus in animal manure.
2001 Sep-Oct
Preparation of phytate-removed deamidated soybean globulins by ion exchangers and characterization of their calcium-binding ability.
2002 Jan 2
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 Sat Dec 16 07:55:20 GMT 2023
Edited
by admin
on Sat Dec 16 07:55:20 GMT 2023
Record UNII
ZBX50UG81V
Record Status Validated (UNII)
Record Version
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Name Type Language
HEXASODIUM PHYTATE
Common Name English
SNF-472
Code English
(1R,2R,3S,4S,5R,6S)-CYCLOHEXANE-1,2,3,4,5,6-HEXAYL-HEXAKIS(DIHYDROGEN PHOSPHATE)
Systematic Name English
INOSITOL, HEXAKIS(DIHYDROGEN PHOSPHATE) HEXASODIUM SALT, MYO-
Systematic Name English
hexasodium fytate [INN]
Common Name English
MYO-INOSITOL, HEXAKIS(DIHYDROGEN PHOSPHATE), HEXASODIUM SALT
Systematic Name English
SNF472
Code English
HEXASODIUM FYTATE
INN  
Official Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 380412
Created by admin on Sat Dec 16 07:55:20 GMT 2023 , Edited by admin on Sat Dec 16 07:55:20 GMT 2023
FDA ORPHAN DRUG 799020
Created by admin on Sat Dec 16 07:55:20 GMT 2023 , Edited by admin on Sat Dec 16 07:55:20 GMT 2023
EU-Orphan Drug EU/3/12/1026
Created by admin on Sat Dec 16 07:55:20 GMT 2023 , Edited by admin on Sat Dec 16 07:55:20 GMT 2023
Code System Code Type Description
PUBCHEM
91667962
Created by admin on Sat Dec 16 07:55:20 GMT 2023 , Edited by admin on Sat Dec 16 07:55:20 GMT 2023
PRIMARY
SMS_ID
100000177155
Created by admin on Sat Dec 16 07:55:20 GMT 2023 , Edited by admin on Sat Dec 16 07:55:20 GMT 2023
PRIMARY
EPA CompTox
DTXSID001021738
Created by admin on Sat Dec 16 07:55:20 GMT 2023 , Edited by admin on Sat Dec 16 07:55:20 GMT 2023
PRIMARY
CAS
34367-89-0
Created by admin on Sat Dec 16 07:55:20 GMT 2023 , Edited by admin on Sat Dec 16 07:55:20 GMT 2023
PRIMARY
FDA UNII
ZBX50UG81V
Created by admin on Sat Dec 16 07:55:20 GMT 2023 , Edited by admin on Sat Dec 16 07:55:20 GMT 2023
PRIMARY
RXCUI
1730445
Created by admin on Sat Dec 16 07:55:20 GMT 2023 , Edited by admin on Sat Dec 16 07:55:20 GMT 2023
PRIMARY
INN
11525
Created by admin on Sat Dec 16 07:55:20 GMT 2023 , Edited by admin on Sat Dec 16 07:55:20 GMT 2023
PRIMARY
DAILYMED
ZBX50UG81V
Created by admin on Sat Dec 16 07:55:20 GMT 2023 , Edited by admin on Sat Dec 16 07:55:20 GMT 2023
PRIMARY
NCI_THESAURUS
C184906
Created by admin on Sat Dec 16 07:55:20 GMT 2023 , Edited by admin on Sat Dec 16 07:55:20 GMT 2023
PRIMARY
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