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

Details

Stereochemistry ACHIRAL
Molecular Formula C6H6O24P6.12Na
Molecular Weight 923.8172
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHYTATE PERSODIUM

SMILES

[Na+].[Na+].[Na+].[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=KETSPIPODMGOEJ-WTSIVQAUSA-B
InChI=1S/C6H18O24P6.12Na/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;12*+1/p-12/t1-,2-,3-,4+,5-,6-;;;;;;;;;;;;

HIDE SMILES / InChI

Approval Year

Name Type Language
PHYTATE PERSODIUM
USAN  
USAN  
Official Name English
PHYTATE PERSODIUM [USAN]
Common Name English
DODECASODIUM PHYTATE
Common Name English
MYO-INOSITOL, 1,2,3,4,5,6-HEXAKIS(DIHYDROGEN PHOSPHATE), SODIUM SALT (1:12)
Common Name English
SODIUM FYTATE (12:1)
Common Name English
Code System Code Type Description
NCI_THESAURUS
C167212
Created by admin on Sat Dec 16 06:58:23 UTC 2023 , Edited by admin on Sat Dec 16 06:58:23 UTC 2023
PRIMARY
FDA UNII
3F6PM8J684
Created by admin on Sat Dec 16 06:58:23 UTC 2023 , Edited by admin on Sat Dec 16 06:58:23 UTC 2023
PRIMARY
CAS
17211-15-3
Created by admin on Sat Dec 16 06:58:23 UTC 2023 , Edited by admin on Sat Dec 16 06:58:23 UTC 2023
PRIMARY
PUBCHEM
66391
Created by admin on Sat Dec 16 06:58:23 UTC 2023 , Edited by admin on Sat Dec 16 06:58:23 UTC 2023
PRIMARY
EPA CompTox
DTXSID00938091
Created by admin on Sat Dec 16 06:58:23 UTC 2023 , Edited by admin on Sat Dec 16 06:58:23 UTC 2023
PRIMARY
ChEMBL
CHEMBL1233511
Created by admin on Sat Dec 16 06:58:23 UTC 2023 , Edited by admin on Sat Dec 16 06:58:23 UTC 2023
PRIMARY