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1,3-bis(diphospho)-myo-inositol 4,5,6-trisphosphate

PropertiesImage
MNX_IDMNXM32261 Image of MNXM32261
referencechebi:62929
formulaC6H19O27P7
global charge0
mol weight740.009
InChIKeyPHUBBCORXCAAHP-KXXVROSKSA-N
InChIInChI=1S/C6H19O27P7/c7-1-2(30-39(23,24)32-37(17,18)19)4(27-34(8,9)10)6(29-36(14,15)16)5(28-35(11,12)13)3(1)31-40(25,26)33-38(20,21)22/h1-7H,(H,23,24)(H,25,26)(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/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)OP(=O)(O)O)[C@H](O)[C@H](OP(=O)(O)OP(=O)(O)O)[C@H]1OP(=O)(O)O
MNX internals
InChI (mnx)InChI=1/C6H19O27P7/c7-1-2(30-39(23,24)32-37(17,18)19)4(27-34(8,9)10)6(29-36(14,15)16)5(28-35(11,12)13)3(1)31-40(25,26)33-38(20,21)22/h1-7H,(H,23,24)(H,25,26)(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/t1-,2+,3-,4-,5+,6+ Image of MNXM32261
SMILES (mnx)[C@H:1]1([OH:7])[C@@H:2]([O:30][P:39]([OH:23])(=[O:24])[O:32][P:37]([OH:17])([OH:18])=[O:19])[C@H:4]([O:27][P:34]([OH:8])([OH:9])=[O:10])[C@@H:6]([O:29][P:36]([OH:14])([OH:15])=[O:16])[C@H:5]([O:28][P:35]([OH:11])([OH:12])=[O:13])[C@H:3]1[O:31][P:40]([OH:25])(=[O:26])[O:33][P:38]([OH:20])([OH:21])=[O:22]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:62929
chebi:62929
PHUBBCORXCAAHP-KXXVROSKSA-N
1,3-bis(diphospho)-myo-inositol 4,5,6-trisphosphate
1,3-(PP)2-IP3
4,5,6-tris-O-phosphono-myo-inositol 1,3-bis[trihydrogen (diphosphate)]