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CHEBI:235478 - hexasodium fytate

Default Structure
ChEBI IDCHEBI:235478
ChEBI Namehexasodium fytate
Stars
Submitterdoughowe
DownloadsMolfile
FormulaC6H12O24P6.6Na
Net Charge0
Average Mass791.922
Monoisotopic Mass791.75304
SMILESO=P([O-])(O)OC1C(OP(=O)([O-])O)C(OP(=O)([O-])O)C(OP(=O)([O-])O)C(OP(=O)([O-])O)C1OP(=O)([O-])O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=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
InChIKeyDHZIAGCFFSRULK-UHFFFAOYSA-H
ChEBI Ontology
Outgoing Relation(s)
hexasodium fytate (CHEBI:235478) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
csl525SUBMITTER
snf472SUBMITTER
Citations