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

MNXM737968 is deprecated and here replaced by MNXM1371916
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1371916 Image of MNXM1371916
referencechebi:140374
formulaC6H6O27P7
global charge-13
mol weight726.905
InChIKeyUPHPWXPNZIOZJL-PTQMNWPWSA-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-/m0/s1
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-/m0/s1 Image of MNXM1371916
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)4
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-1629761
reactomeM:R-ALL-1629761
reactome:R-ALL-2023914
reactomeM:R-ALL-2023914
CHEBI:140374
chebi:140374
UPHPWXPNZIOZJL-PTQMNWPWSA-A 		3-diphospho-1D-myo-inositol 1,2,4,5,6-pentakisphosphate
3-diphospho-1D-myo-inositol 1,2,4,5,6-pentakisphosphate(13-)

metacyc.compound:CPD-11937
metacycM:CPD-11937
UPHPWXPNZIOZJL-PTQMNWPWSA-B 		1D-myo-inositol 3-diphosphate 1,2,4,5,6-pentakisphosphate
3-PP-InsP5
3-diphospho-1D-myo-inositol 1,2,4,5,6-pentakisphosphate
3-diphospho-1D-myo-inositol pentakisphosphate

seed.compound:cpd23149
seedM:cpd23149
UPHPWXPNZIOZJL-PTQMNWPWSA-B 		3-PP-InsP5
1D-myo-inositol 3-diphosphate 1,2,4,5,6-pentakisphosphate
3-diphospho-1D-myo-inositol (1,2,4,5,6)pentakisphosphate
3-diphospho-1D-myo-inositol 1,2,4,5,6-pentakisphosphate
3-diphospho-1D-myo-inositol pentakisphosphate

CHEBI:62922
chebi:62922
UPHPWXPNZIOZJL-PTQMNWPWSA-N 		3-diphospho-1D-myo-inositol 1,2,4,5,6-pentakisphosphate
(1S,2S,3R,4S,5S,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate
1,2,4,5,6-pentakis-O-phosphono-1D-myo-inositol 3-(trihydrogen diphosphate)
3-PP-IP5

seedM:M_cpd23149 		secondary/obsolete/fantasy identifier