**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

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

Properties Image Occurences in reactions MNX_ID MNXM1364361 #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 1 formula C6H6O27P7 charge -13 mass 726.898 reference chebi:140374 InChIKey UPHPWXPNZIOZJL-PTQMNWPWSA-A InChI 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)/p-13/t1-,2-,3+,4-,5-,6-/m0/s1 SMILES [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]

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Similar chemical compounds in external resources

Identifier	Description
CHEBI:140374 chebi:140374	3-diphospho-1D-myo-inositol 1,2,4,5,6-pentakisphosphate 3-diphospho-1D-myo-inositol 1,2,4,5,6-pentakisphosphate(13-)
seed.compound:cpd23149 seedM:cpd23149	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
reactome:R-ALL-1629761 reactomeM:R-ALL-1629761 reactome:R-ALL-2023914 reactomeM:R-ALL-2023914 CHEBI:62922 chebi:62922	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