6-diphospho-1D-myo-inositol pentakisphosphate

Chemical Formula:

C₆H₆O₂₇P₇

Molecular Weight:

740.01520 Daltons

Monoisotopic Mass:

739.82770 Daltons

SMILES:

OP(O)(=O)O[C@@H]1[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(=O)OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O

InChI:

1S/C6H19O27P7/c7-34(8,9)27-1-2(28-35(10,11)12)4(30-37(16,17)18)6(32-40(25,26)33-39(22,23)24)5(31-38(19,20)21)3(1)29-36(13,14)15/h1-6H,(H,25,26)(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-/m1/s1

InChIKey:

UPHPWXPNZIOZJL-XCMZKKERSA-N

Synonyms

1,2,3,4,5-pentakis-O-phosphono-1D-myo-inositol 6-(trihydrogen diphosphate)

Databases

Yeast-GEM: s_0333

ChEBI: 53065