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Details

Stereochemistry ACHIRAL
Molecular Formula C6H6O24P6.6Ca
Molecular Weight 888.408
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALCIUM PHYTATE

SMILES

[Ca++].[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=WPEXVRDUEAJUGY-BQYPOXACSA-B
InChI=1S/C6H18O24P6.6Ca/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 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 Ca
Molecular Weight 40.078
Charge 2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

CALCIUM PHYTATE is a calcium salt of phytic acid (also known as myo-inositol hexakisphosphate (IP6), inositol polyphosphate), which is a strong chelator (complexing agent) of important minerals such as calcium, iron. In nature, it functions as storage for phosphorus in plants, especially in the hulls of nuts and seeds. Phytic acid (IP6) for a long period was considered an antinutritional factor. However, in vitro and in vivo studies have demonstrated its beneficial effects in the prevention and treatment of several pathological conditions and cancer. It also exhibits protective action in Parkinson's disease and this is correlated with its anti-inflammatory effect, which may be associated with suppression of pathways that involved in NF-κB and p-ERK. In addition was discovered, that phytic acid might provide a viable treatment option for Alzheimer's disease.

CNS Activity

Curator's Comment: Known to be CNS penetrant in rat. Human data not available

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

Approved Use

Unknown
Primary
Unknown

Approved Use

Unknown
Primary
Unknown

Approved Use

Unknown
Preventing
Unknown

Approved Use

Unknown
PubMed

PubMed

TitleDatePubMed
Patents

Patents

Sample Use Guides

in mice (alzheimer's pathology): 2% phytic acid in drinking water for 70 days
Route of Administration: Oral
It was examined the antioxidant effect of phytic acid on iron (II)-enhanced hydroxyl radical (*OH) generation induced by 1-methyl-4-phenylpyridinium ion (MPP(+)) in the extracellular fluid of rat striatum. Phytic acid (100 microM) did not significantly decrease the levels of MPP(+)-induced *OH formation trapped as 2,3-DHBA. To confirm the generation of *OH by the Fenton-type reaction, iron (II) was infused through a microdialysis probe. Introduction of iron (II) (10 microM) enhanced MPP(+) induced *OH generation. However, phytic acid significantly suppressed iron (II)-enhanced *OH formation after MPP(+) treatment (n=6, P<0.05). These results suggest that the antiradical effect of phytic acid occurs by chelating iron required for the MPP(+)-enhanced *OH generation via the Fenton-type reaction.
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:24:35 GMT 2023
Edited
by admin
on Fri Dec 15 15:24:35 GMT 2023
Record UNII
L1WK0T5S7Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CALCIUM PHYTATE
HSDB  
Common Name English
INOSITOL, HEXAKIS(DIHYDROGEN PHOSPHATE), CALCIUM SALT (1:6), MYO-
Common Name English
MYO-INOSITOL, 1,2,3,4,5,6-HEXAKIS(DIHYDROGEN PHOSPHATE), CALCIUM SALT (1:6)
Common Name English
INOSITOL HEXAPHOSPHATE CALCIUM SALT
Common Name English
FERRONIF
Common Name English
MYO-INOSITOL, HEXAKIS(DIHYDROGEN PHOSPHATE), CALCIUM SALT (1:6)
Common Name English
CALCIUM PHYTATE [HSDB]
Common Name English
CALCIUM FYTATE
Common Name English
Classification Tree Code System Code
DSLD 3413 (Number of products:2)
Created by admin on Fri Dec 15 15:24:35 GMT 2023 , Edited by admin on Fri Dec 15 15:24:35 GMT 2023
Code System Code Type Description
CAS
7776-28-5
Created by admin on Fri Dec 15 15:24:35 GMT 2023 , Edited by admin on Fri Dec 15 15:24:35 GMT 2023
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FDA UNII
L1WK0T5S7Z
Created by admin on Fri Dec 15 15:24:35 GMT 2023 , Edited by admin on Fri Dec 15 15:24:35 GMT 2023
PRIMARY
SMS_ID
100000076569
Created by admin on Fri Dec 15 15:24:35 GMT 2023 , Edited by admin on Fri Dec 15 15:24:35 GMT 2023
PRIMARY
HSDB
962
Created by admin on Fri Dec 15 15:24:35 GMT 2023 , Edited by admin on Fri Dec 15 15:24:35 GMT 2023
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PUBCHEM
24495
Created by admin on Fri Dec 15 15:24:35 GMT 2023 , Edited by admin on Fri Dec 15 15:24:35 GMT 2023
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ECHA (EC/EINECS)
231-897-9
Created by admin on Fri Dec 15 15:24:35 GMT 2023 , Edited by admin on Fri Dec 15 15:24:35 GMT 2023
PRIMARY
EPA CompTox
DTXSID40998952
Created by admin on Fri Dec 15 15:24:35 GMT 2023 , Edited by admin on Fri Dec 15 15:24:35 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE