06G

D-myo-inositol 1,4,6-trisphosphate

Created:	2023-07-10
Last modified:	2024-02-28

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1 entries where 06G is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	6
Bond Count	39
Aromatic Bond Count	0

2D diagram of 06G

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Chemical Component Summary
Name	D-myo-inositol 1,4,6-trisphosphate
Synonyms	[(1R,2R,3S,4R,5S,6R)-2,3,5-tris(oxidanyl)-4,6-diphosphonooxy-cyclohexyl] dihydrogen phosphate
Systematic Name (OpenEye OEToolkits)	[(1~{R},2~{R},3~{S},4~{R},5~{S},6~{R})-2,3,5-tris(oxidanyl)-4,6-diphosphonooxy-cyclohexyl] dihydrogen phosphate
Formula	C₆ H₁₅ O₁₅ P₃
Molecular Weight	420.096
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O[CH]1[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O)[CH]1O[P](O)(O)=O
SMILES	OpenEye OEToolkits	2.0.7	C1(C(C(C(C(C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O
Canonical SMILES	CACTVS	3.385	O[C@H]1[C@@H](O)[C@@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@@H](O)[C@@H]1O[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	[C@@H]1([C@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O
InChI	InChI	1.06	InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2+,3-,4+,5+,6+/m0/s1
InChIKey	InChI	1.06	MMWCIQZXVOZEGG-LKKUUOETSA-N

Related Resource References

Resource Name	Reference
PubChem	11101853
ChEBI	CHEBI:191034

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