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

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

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
A case of diaphragm hernia containing accessory spleen and great omentum detected by Tc-99m phytate scintigraphy.
1999 Oct
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
Rice-bran products: phytonutrients with potential applications in preventive and clinical medicine.
2001
Evaluation of selected food attributes of four advanced lines of ungerminated and germinated Nigerian cowpea (Vigna unguiculata (L.) Walp.).
2001
Influence of inositolhexaphosphori acid (phytic acid) on the copper distribution in tissues and the excretion of copper in rats.
2001 Apr
Novel method using phytase for separating soybean beta-conglycinin and glycinin.
2001 Apr
Rapid analysis of inositol phosphates.
2001 Apr
Expression of D-myo-inositol-3-phosphate synthase in soybean. Implications for phytic acid biosynthesis.
2001 Apr
Distal ligand reactivity and quaternary structure studies of proximally detached hemoglobins.
2001 Apr 3
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
Assessment of home-based processing methods to reduce the phytate content and phytate/zinc molar ratio of white maize (Zea mays).
2001 Feb
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
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
Beta 93 modified hemoglobin: kinetic and conformational consequences.
2001 Jun 26
Production process for high-quality pea-protein isolate with low content of oligosaccharides and phytate.
2001 Mar
Purification and properties of extracellular phytase from Bacillus sp. KHU-10.
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
Stereospecificity of myo-inositol hexakisphosphate dephosphorylation by a phytate-degrading enzyme of baker's yeast.
2001 May
Production, purification and properties of microbial phytases.
2001 May
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
Biotechnological development of effective phytases for mineral nutrition and environmental protection.
2001 Nov
Bioavailability of cadmium from infant diets in newborn rats.
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
Stereospecificity of myo-inositol hexakisphosphate dephosphorylation by a phytate-degrading enzyme of Escherichia coli.
2001 Nov 17
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
Complementary feeding practices and dietary intakes from complementary foods amongst weanlings in rural Malawi.
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
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
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 15 14:57:32 GMT 2023
Edited
by admin
on Fri Dec 15 14:57:32 GMT 2023
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 15 14:57:33 GMT 2023 , Edited by admin on Fri Dec 15 14:57:33 GMT 2023
Code System Code Type Description
EPA CompTox
DTXSID60992770
Created by admin on Fri Dec 15 14:57:32 GMT 2023 , Edited by admin on Fri Dec 15 14:57:32 GMT 2023
PRIMARY
EVMPD
SUB15319MIG
Created by admin on Fri Dec 15 14:57:32 GMT 2023 , Edited by admin on Fri Dec 15 14:57:32 GMT 2023
PRIMARY
RXCUI
9903
Created by admin on Fri Dec 15 14:57:33 GMT 2023 , Edited by admin on Fri Dec 15 14:57:33 GMT 2023
PRIMARY RxNorm
NCI_THESAURUS
C87690
Created by admin on Fri Dec 15 14:57:33 GMT 2023 , Edited by admin on Fri Dec 15 14:57:33 GMT 2023
PRIMARY
FDA UNII
88496G1ERL
Created by admin on Fri Dec 15 14:57:32 GMT 2023 , Edited by admin on Fri Dec 15 14:57:32 GMT 2023
PRIMARY
MERCK INDEX
m8769
Created by admin on Fri Dec 15 14:57:32 GMT 2023 , Edited by admin on Fri Dec 15 14:57:32 GMT 2023
PRIMARY Merck Index
CAS
7205-52-9
Created by admin on Fri Dec 15 14:57:32 GMT 2023 , Edited by admin on Fri Dec 15 14:57:32 GMT 2023
PRIMARY
SMS_ID
100000159723
Created by admin on Fri Dec 15 14:57:33 GMT 2023 , Edited by admin on Fri Dec 15 14:57:33 GMT 2023
PRIMARY
DAILYMED
88496G1ERL
Created by admin on Fri Dec 15 14:57:32 GMT 2023 , Edited by admin on Fri Dec 15 14:57:32 GMT 2023
PRIMARY
ChEMBL
CHEMBL2005481
Created by admin on Fri Dec 15 14:57:32 GMT 2023 , Edited by admin on Fri Dec 15 14:57:32 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE