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5-diphospho-1D-myo-inositol 1,2,3,4,6-pentakisphosphate

PropertiesImage
MNX_IDMNXM1102135 Image of MNXM1102135
referencechebi:58628
formulaC6H6O27P7
global charge-13
mol weight726.905
InChIKeyUPHPWXPNZIOZJL-KXXVROSKSA-A
InChIInChI=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)/p-13/t1-,2+,3-,4-,5+,6+
SMILESO=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-])[O-]
MNX internals
InChI (mnx)InChI=1/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+ Image of MNXM1102135
SMILES (mnx)[C@H:1]1([O:27][P:34]([OH:7])([OH:8])=[O:9])[C@@H:2]([O:28][P:35]([OH:10])([OH:11])=[O:12])[C@H:4]([O:30][P:37]([OH:16])([OH:17])=[O:18])[C@@H:6]([O:32][P:40]([OH:25])(=[O:26])[O:33][P:39]([OH:22])([OH:23])=[O:24])[C@H:5]([O:31][P:38]([OH:19])([OH:20])=[O:21])[C@H:3]1[O:29][P:36]([OH:13])([OH:14])=[O:15]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)10
in models (compartimentalized) 9
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-1629765
reactomeM:R-ALL-1629765
reactome:R-ALL-2023940
reactomeM:R-ALL-2023940
CHEBI:58628
chebi:58628
UPHPWXPNZIOZJL-KXXVROSKSA-A 		5-diphospho-1D-myo-inositol 1,2,3,4,6-pentakisphosphate
1,2,3,4,6-pentakis-O-phosphonato-1D-myo-inositol 5-diphosphate
5-diphospho-1D-myo-inositol pentakisphosphate(13-)

metacyc.compound:5-DIPHOSPHO-1D-MYO-INOSITOL-12346P
metacycM:5-DIPHOSPHO-1D-MYO-INOSITOL-12346P
UPHPWXPNZIOZJL-KXXVROSKSA-A 		1D-myoinositol 5-diphosphate 1,2,3,4,6-pentakisphosphate
(1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate
5-PP-InsP5
5-diphospho-1D-myo-inositol 1,2,3,4,6-pentakisphosphate
5-diphospho-1D-myo-inositol pentakisphosphate
diphosphoinositol pentakisphosphate

bigg.metabolite:ppmi12346p
biggM:ppmi12346p
UPHPWXPNZIOZJL-KXXVROSKSA-A 		5 Diphosphoinositol pentakisphosphate
hmdb:HMDB0006229
UPHPWXPNZIOZJL-KXXVROSKSA-N 		5-Diphosphoinositol pentakisphosphate
(1R,2R,3S,4S,5R,6S)-2,3,4,5,6-Pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate
(1R,2R,3S,4S,5R,6S)-2,3,4,5,6-Pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphoric acid
1,2,3,4,6-Pentakis-O-phosphono-1D-myo-inositol 5-(trihydrogen diphosphate)
1D-Myo-inositol 5-diphosphate 1,2,3,4,6-pentakisphosphate
1D-Myo-inositol 5-diphosphate pentakisphosphate
1D-Myo-inositol 5-diphosphoric acid 1,2,3,4,6-pentakisphosphoric acid
1D-Myo-inositol 5-diphosphoric acid pentakisphosphoric acid
5-Diphospho-1D-myo-inositol 1,2,3,4,6-pentakisphosphate
5-Diphospho-1D-myo-inositol pentakisphosphate
5-Diphosphoinositol pentakisphosphoric acid
5-PP-InsP5
5beta 5pp-IP5
5beta-IP7
Diphosphoinositol pentakisphosphate
IP7
InsP7
PP-InsP5
[(1R,2r,3S,4R,5s,6S)-2-{[hydroxy(phosphonooxy)phosphoryl]oxy}-3,4,5,6-tetrakis(phosphonooxy)cyclohexyl]oxyphosphonic acid
myo-Inositol 1,2,3,4,6-pentakis(dihydrogen phosphate) 5-(trihydrogen diphosphate)
{[(1R,2r,3S,4R,5s,6S)-2-{[hydroxy(phosphonooxy)phosphoryl]oxy}-3,4,5,6-tetrakis(phosphonooxy)cyclohexyl]oxy}phosphonic acid

vmhM:ppmi12346p
vmhmetabolite:ppmi12346p
UPHPWXPNZIOZJL-KXXVROSKSA-A 		5-Diphosphoinositol pentakisphosphate
{[(1R,2r,3S,4R,5s,6S)-2-{[hydroxy(phosphonooxy)phosphoryl]oxy}-3,4,5,6-tetrakis(phosphonooxy)cyclohexyl]oxy}phosphonic acid

seed.compound:cpd08361
seedM:cpd08361
UPHPWXPNZIOZJL-KXXVROSKSA-B 		5-PP-InsP5
(1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate
1D-myo-Inositol 5-diphosphate 1,2,3,4,6-pentakisphosphate
1D-myo-Inositol 5-diphosphate pentakisphosphate
1D-myoinositol 5-diphosphate 1,2,3,4,6-pentakisphosphate
5-Diphosphoinositol pentakisphosphate
5-diphospho-1D-myo-inositol (1,2,3,4,6)pentakisphosphate
5-diphospho-1D-myo-inositol 1,2,3,4,6-pentakisphosphate
5-diphospho-1D-myo-inositol pentakisphosphate
diphosphoinositol pentakisphosphate
ppmi12346p

kegg.compound:C11526
keggC:C11526
UPHPWXPNZIOZJL-KXXVROSKSA-N 		5-PP-InsP5
1D-myo-Inositol 5-diphosphate 1,2,3,4,6-pentakisphosphate
1D-myo-Inositol 5-diphosphate pentakisphosphate
5-Diphosphoinositol pentakisphosphate

sabiork.compound:13589
sabiorkM:13589
UPHPWXPNZIOZJL-KXXVROSKSA-N 		5-PP-InsP5
1D-myo-inositol 5-diphosphate 1,2,3,4,6-pentakisphosphate
5-Diphosphoinositol pentakisphosphate
IP7
PP-InsP5

CHEBI:30164
chebi:30164
UPHPWXPNZIOZJL-KXXVROSKSA-N 		5-diphospho-1D-myo-inositol pentakisphosphate
(1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate
1,2,3,4,6-pentakis-O-phosphono-1D-myo-inositol 5-(trihydrogen diphosphate)
1D-myo-Inositol 5-diphosphate pentakisphosphate
1D-myo-inositol 5-diphosphate 1,2,3,4,6-pentakisphosphate
1D-myo-inositol 5-diphosphate pentakisphosphate
5-Diphosphoinositol pentakisphosphate
5-PP-InsP5

seed.compound:cpd36883
seedM:cpd36883
UPHPWXPNZIOZJL-UHFFFAOYSA-B 		CPD-11933

metacyc.compound:CPD-11933
metacycM:CPD-11933
UPHPWXPNZIOZJL-UHFFFAOYSA-A 		a diphospho-1D-myo-inositol pentakisphosphate
PP-InsP5
a diphosphoinositol pentakisphosphate

hmdb:HMDB06229
chebi:12124
chebi:2119
biggM:M_ppmi12346p
keggC:M_C11526
seedM:M_cpd08361
seedM:M_cpd36883
vmhM:M_ppmi12346p 		secondary/obsolete/fantasy identifier