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

PropertiesImage
MNX_IDMNXM6587 Image of MNXM6587
referencechebi:77983
formulaC6H7O30P8
global charge-13
mol weight806.884
InChIKeyHHQOOERQSFJGEP-SLWYWOEDSA-A
InChIInChI=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-/m1/s1
SMILESO=P([O-])([O-])O[C@@H]1[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])OP(=O)([O-])O)[C@@H]1OP(=O)([O-])[O-]
MNX internals
InChI (mnx)InChI=1/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)/t1-,2-,3-,4-,5+,6-/m1/s1 Image of MNXM6587
SMILES (mnx)[C@@H:1]1([O:29][P:37]([OH:7])([OH:8])=[O:9])[C@@H:2]([O:30][P:38]([OH:10])([OH:11])=[O:12])[C@H:5]([O:33][P:43]([OH:25])(=[O:26])[O:35][P:41]([OH:19])([OH:20])=[O:21])[C@@H:4]([O:32][P:40]([OH:16])([OH:17])=[O:18])[C@H:6]([O:34][P:44]([OH:27])(=[O:28])[O:36][P:42]([OH:22])([OH:23])=[O:24])[C@@H:3]1[O:31][P:39]([OH:13])([OH:14])=[O:15]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-1629732
reactomeM:R-ALL-1629732
reactome:R-ALL-2023931
reactomeM:R-ALL-2023931
CHEBI:77983
chebi:77983
HHQOOERQSFJGEP-SLWYWOEDSA-A 		1,5-bis(diphospho)-1D-myo-inositol 2,3,4,6-tetrakisphosphate
1,5-bis(diphospho)-1D-myo-inositol 2,3,4,6-tetrakisphosphate(13-)

CHEBI:74945
chebi:74945
HHQOOERQSFJGEP-SLWYWOEDSA-A 		1,5-bis(diphospho)-1D-myo-inositol 2,3,4,6-tetrakisphosphate(14-)

CHEBI:62923
chebi:62923
HHQOOERQSFJGEP-SLWYWOEDSA-N 		1,5-bis(diphospho)-1D-myo-inositol 2,3,4,6-tetrakisphosphate
(1R,3S,4R,5S,6R)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)]
1,5-(PP)2-IP4
2,3,4,6-tetrakis-O-phosphono-1D-myo-inositol 1,5-bis[trihydrogen (diphosphate)]
hmdb:HMDB0304011
HHQOOERQSFJGEP-SLWYWOEDSA-A 		1,5-bisdiphosphoinositol-1D-myo-inositol (2,3,4,6)tetrakisphosphate
(1R,3S,4R,5S,6R)-2,4,5,6-Tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)]
(1R,3S,4R,5S,6R)-2,4,5,6-Tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphoric acid)]
1,5-(PP)2-IP4
1,5-Bis(diphospho)-1D-myo-inositol 2,3,4,6-tetrakisphosphoric acid
1D-Myo-inositol 1,5-bis(diphosphoric acid) 2,3,4,6-tetrakisphosphoric acid
[(1S,2R,3R,4R,5R,6R)-3-{[hydroxy(phosphonatooxy)phosphoryl]oxy}-2,4,5,6-tetrakis(phosphonatooxy)cyclohexyl phosphonato]oxyphosphonate
{[(1S,2R,3R,4R,5R,6R)-3-{[hydroxy(phosphonatooxy)phosphoryl]oxy}-2,4,5,6-tetrakis(phosphonatooxy)cyclohexyl phosphonato]oxy}phosphonate

seed.compound:cpd23150
seedM:cpd23150
HHQOOERQSFJGEP-SLWYWOEDSA-B 		1,5-bisdiphosphoinositol-1D-myo-inositol (2,3,4,6)tetrakisphosphate
1D-myo-Inositol 1,5-bis(diphosphate) 2,3,4,6-tetrakisphosphate
1D-myo-inositol 1,5-bis(diphosphate) 2,3,4,6-tetrakisphosphate

kegg.compound:C20690
keggC:C20690
HHQOOERQSFJGEP-SLWYWOEDSA-N 		1D-myo-Inositol 1,5-bis(diphosphate) 2,3,4,6-tetrakisphosphate

metacyc.compound:CPD-11938
metacycM:CPD-11938
HHQOOERQSFJGEP-SLWYWOEDSA-A 		1D-myo-inositol 1,5-bis(diphosphate) 2,3,4,6-tetrakisphosphate
1,5-bisdiphosphoinositol-1D-myo-inositol (2,3,4,6)tetrakisphosphate
1D-myo-inositol 1-diphosphate pentakisphosphate

keggC:M_C20690
seedM:M_cpd23150 		secondary/obsolete/fantasy identifier