| Properties | Image |
|---|
| MNX_ID | MNXM1105801 |
 |
| reference | metacycM:Bisdiphospho-myo-inositol-polyphosphates |
| formula | C6H6O30P8 |
| global charge | -14 |
| mol weight | 805.876 |
| InChIKey | GXPFHIDIIMSLOF-UHFFFAOYSA-A |
| InChI | InChI=1S/C6H20O30P8/c7-37(8,9)29-1-2(30-38(10,11)12)4(32-40(16,17)18)6(34-44(27,28)36-42(22,23)24)5(3(1)31-39(13,14)15)33-43(25,26)35-41(19,20)21/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-14 |
| SMILES | O=P([O-])([O-])OC1C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(OP(=O)([O-])OP(=O)([O-])[O-])C(OP(=O)([O-])OP(=O)([O-])[O-])C1OP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C6H20O30P8/c7-37(8,9)29-1-2(30-38(10,11)12)4(32-40(16,17)18)6(34-44(27,28)36-42(22,23)24)5(3(1)31-39(13,14)15)33-43(25,26)35-41(19,20)21/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? |
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| SMILES (mnx) | [CH:1]1([O:29][P:37]([OH:7])([OH:8])=[O:9])[CH:2]([O:30][P:38]([OH:10])([OH:11])=[O:12])[CH:4]([O:32][P:40]([OH:16])([OH:17])=[O:18])[CH:6]([O:34][P:44]([OH:27])(=[O:28])[O:36][P:42]([OH:22])([OH:23])=[O:24])[CH:5]([O:33][P:43]([OH:25])(=[O:26])[O:35][P:41]([OH:19])([OH:20])=[O:21])[CH:3]1[O:31][P:39]([OH:13])([OH:14])=[O:15] |
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