4IP

INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE

Created: 1999-07-08
Last modified:  2014-10-08

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Chemical Details

Formal Charge0
Atom Count44
Chiral Atom Count4
Bond Count44
Aromatic Bond Count0
2D diagram of 4IP
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Chemical Component Summary

NameINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE
Systematic Name (OpenEye OEToolkits)[(1S,2S,4S,5R)-2,4-bis(oxidanyl)-3,5,6-triphosphonooxy-cyclohexyl] dihydrogen phosphate
FormulaC6 H16 O18 P4
Molecular Weight500.075
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=P(O)(O)OC1C(O)C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C1OP(=O)(O)O
SMILESCACTVS3.385O[CH]1[CH](O[P](O)(O)=O)[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O
SMILESOpenEye OEToolkits1.7.6C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)O
Canonical SMILESCACTVS3.385 O[C@H]1[C@@H](O[P](O)(O)=O)[C@H](O)[C@@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@H]1O[P](O)(O)=O
Canonical SMILESOpenEye OEToolkits1.7.6 [C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O
InChIInChI1.03 InChI=1S/C6H16O18P4/c7-1-3(21-25(9,10)11)2(8)5(23-27(15,16)17)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2-,3-,4+,5-,6-/m0/s1
InChIKeyInChI1.03 CIPFCGZLFXVXBG-CNWJWELYSA-N

Drug Info: DrugBank

DrugBank IDDB01863 
NameInositol 1,3,4,5-Tetrakisphosphate
Groups experimental
SynonymsInositol 1,3,4,5-Tetrakisphosphate
Categories
  • Alcohols
  • Carbohydrates
  • Sugar Alcohols
  • Sugar Phosphates

Drug Targets

NameTarget SequencePharmacological ActionActions
Inositol-trisphosphate 3-kinase AMTLPGGPTGMARPGGARPCSPGLERAPRRSVGELRLLFEARCAAVAAAAA...unknown
Cytohesin-2MEDGVYEPPDLTPEERMELENIRRRKQELLVEIQRLREELSEAMSEVEGL...unknown
Cytohesin-3MDEDGGGEGGGVPEDLSLEEREELLDIRRRKKELIDDIERLKYEIAEVMT...unknown
3-phosphoinositide-dependent protein kinase 1MARTTSQLYDAVPIQSSVVLCSCPSPSMVRTQTESSTPPGIPGGSRQGPA...unknown
RAC-alpha serine/threonine-protein kinaseMSDVAIVKEGWLHKRGEYIKTWRPRYFLLKNDGTFIGYKERPQDVDQREA...unknown
View More
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682