Inositol 1,3,4,5-tetraphosphate

Details

Stereochemistry	RACEMIC
Molecular Formula	C6H16O18P4
Molecular Weight	500.0755
Optical Activity	( + / - )
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Inositol 1,3,4,5-tetraphosphate

Structure Search

SMILES

O[C@H]1[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1OP(O)(O)=O

InChI

InChIKey=CIPFCGZLFXVXBG-CNWJWELYSA-N

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

HIDE SMILES / InChI

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Tyrosine-protein kinase BTK 24 Target ID: Q06187 Gene ID: 695.0 Gene Symbol: BTK Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/24307874	Binding Agent 1064

PubMed

Title	Date	PubMed
Molecular dynamic simulation to explore the molecular basis of Btk-PH domain interaction with Ins(1,3,4,5)P4.	2013	24307874

Name

Type

Language

Inositol 1,3,4,5-tetraphosphate

Common Name

English

myo-Inositol 1,3,4,5-tetrakis(phosphate)

Common Name

English

myo-Inositol, 1,3,4,5-tetrakis(dihydrogen phosphate)

Common Name

English

myo-Inositol 1,3,4,5-tetraphosphate

Common Name

English

Inositol 1,3,4,5-tetrakis(phosphate)

Common Name

English

IP4

Common Name

English

((1R,2R,4R,5S)-2,4-BIS(OXIDANYL)-3,5,6-TRIPHOSPHONOOXY-CYCLOHEXYL) DIHYDROGEN PHOSPHATE

Systematic Name

English

Code System Code Type Description

FDA UNII

XK67P86535

Created by admin on Sat Dec 16 16:33:50 GMT 2023 , Edited by admin on Sat Dec 16 16:33:50 GMT 2023

PRIMARY

CAS

102850-29-3

Created by admin on Sat Dec 16 16:33:50 GMT 2023 , Edited by admin on Sat Dec 16 16:33:50 GMT 2023

PRIMARY

EPA CompTox

DTXSID80908090

Created by admin on Sat Dec 16 16:33:50 GMT 2023 , Edited by admin on Sat Dec 16 16:33:50 GMT 2023

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PUBCHEM

107758

Created by admin on Sat Dec 16 16:33:50 GMT 2023 , Edited by admin on Sat Dec 16 16:33:50 GMT 2023

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SUBSTANCE RECORD


					XK67P86535

Inositol 1,3,4,5-tetraphosphate