CIP

INOSITOL-2-METHYLENE-1,2-CYCLIC-MONOPHOSPHATE

Created:	1999-07-08
Last modified:	2011-06-04

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1 entries where CIP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	7
Bond Count	29
Aromatic Bond Count	0

2D diagram of CIP

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Chemical Component Summary
Name	INOSITOL-2-METHYLENE-1,2-CYCLIC-MONOPHOSPHATE
Systematic Name (OpenEye OEToolkits)	(1R,2R,3S,4R,5S,6R,8R)-8-hydroxy-8-oxo-9-oxa-8$l^{5}-phosphabicyclo[4.3.0]nonane-2,3,4,5-tetrol
Formula	C₇ H₁₃ O₇ P
Molecular Weight	240.148
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P1(OC2C(C1)C(O)C(O)C(O)C2O)O
SMILES	CACTVS	3.341	O[CH]1[CH](O)[CH](O)[CH]2O[P](O)(=O)C[CH]2[CH]1O
SMILES	OpenEye OEToolkits	1.5.0	C1C2C(C(C(C(C2OP1(=O)O)O)O)O)O
Canonical SMILES	CACTVS	3.341	O[C@H]1[C@H](O)[C@@H](O)[C@@H]2O[P@@](O)(=O)C[C@@H]2[C@@H]1O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C1[C@@H]2[C@@H]([C@H]([C@@H]([C@H]([C@@H]2O[P@]1(=O)O)O)O)O)O
InChI	InChI	1.03	InChI=1S/C7H13O7P/c8-3-2-1-15(12,13)14-7(2)6(11)5(10)4(3)9/h2-11H,1H2,(H,12,13)/t2-,3+,4-,5+,6-,7-/m1/s1
InChIKey	InChI	1.03	HSPMBPCIFXNUBY-YXVPSNDASA-N

Related Resource References

Resource Name	Reference
PubChem	445090

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