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3,5-bis(diphospho)-1D-myo-inositol 1,2,4,6-tetrakisphosphate

Properties

Image

Occurences in reactions

MNX_ID

MNXM8094

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	1

formula

C₆H₇O₃₀P₈

charge

-13

mass

806.69944

reference

chebi:140372

InChIKey

HHQOOERQSFJGEP-ZSIQDKGESA-A

InChI

InChI=1S/C6H20O30P8/c7-37(8,9)29-1-2(30-38(10,11)12)5(33-43(25,26)35-41(19,20)21)4(32-40(16,17)18)6(3(1)31-39(13,14)15)34-44(27,28)36-42(22,23)24/h1-6H,(H,25,26)(H,27,28)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/p-13/t1-,2-,3-,4-,5+,6-/m0/s1

SMILES

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:140372 chebi:140372	3,5-bis(diphospho)-1D-myo-inositol 1,2,4,6-tetrakisphosphate 3,5-bis(diphospho)-1D-myo-inositol 1,2,4,6-tetrakisphosphate(13-)
reactome:R-ALL-1629766 reactomeM:R-ALL-1629766 reactome:R-ALL-2023951 reactomeM:R-ALL-2023951 CHEBI:62924 chebi:62924	3,5-bis(diphospho)-1D-myo-inositol 1,2,4,6-tetrakisphosphate (1R,3S,4S,5R,6S)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)] 1,2,4,6-tetrakis-O-phosphono-1D-myo-inositol 3,5-bis[trihydrogen (diphosphate)] 3,5-(PP)2-IP4
seed.compound:cpd23151 seedM:cpd23151	3,5-bisdiphosphoinositol-1D-myo-inositol (2,3,4,6)tetrakisphosphate 3,5-bisdiphosphoinositol-1D-myo-inositol 2,3,4,6-tetrakisphosphate
metacyc.compound:CPD-11939 metacycM:CPD-11939	3,5-bisdiphosphoinositol-1D-myo-inositol 2,3,4,6-tetrakisphosphate
seedM:M_cpd23151	secondary/obsolete/fantasy identifier