IPD

D-MYO-INOSITOL-1-PHOSPHATE

Created:	1999-07-08
Last modified:	2024-09-27

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11 entries where IPD is found as a standalone ligand2 entries where IPD is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	-2
Atom Count	27
Chiral Atom Count	4
Bond Count	27
Aromatic Bond Count	0

2D diagram of IPD

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Chemical Component Summary
Name	D-MYO-INOSITOL-1-PHOSPHATE
Systematic Name (OpenEye OEToolkits)	[(2R,3R,5S,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl] phosphate
Formula	C₆ H₁₁ O₉ P
Molecular Weight	258.12
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=P([O-])([O-])OC1C(O)C(O)C(O)C(O)C1O
SMILES	CACTVS	3.370	O[CH]1[CH](O)[CH](O)[CH](O[P]([O-])([O-])=O)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.7.6	C1(C(C(C(C(C1O)O)OP(=O)([O-])[O-])O)O)O
Canonical SMILES	CACTVS	3.370	O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O[P]([O-])([O-])=O)[C@H](O)[C@H]1O
Canonical SMILES	OpenEye OEToolkits	1.7.6	[C@H]1([C@H](C([C@@H]([C@@H](C1O)O)O)OP(=O)([O-])[O-])O)O
InChI	InChI	1.03	InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/p-2/t1-,2-,3+,4-,5-,6-/m1/s1
InChIKey	InChI	1.03	INAPMGSXUVUWAF-UOTPTPDRSA-L

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.