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IdentifiersCAS 83-86-3

Identifiers

CAS
83-86-3
Formula
C₆H₁₈O₂₄P₆
InChIKey
IMQLKJBTEOYOSI-GPIVLXJGSA-N
InChI
InChI=1S/C6H18O24P6/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)/t1-,2-,3-,4+,5-,6-
SMILES
C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O
[C@@H]1([C@@H]([C@@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O
PubChem CID
890
ChemSpider
16735966
EC number
201-506-6
ChEBI
17401
ChEMBL
CHEMBL1233511
KEGG
C01204
Wikidata
Q409679
NZIoC name
myo-Inositol, hexakis(dihydrogen phosphate)

Synonyms (5)

1D-myo-inositol hexakisphosphate · fytic acid · myo-inositol hexakisphosphate · phytine · {[2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]oxy}phosphonic acid

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